2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H34N6 — CID 95716135

IUPAC2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCCNC4)CC2)C1
InChIInChI=1S/C19H34N6/c1-22-6-2-4-17(14-22)15-23-8-10-24(11-9-23)16-18-12-19-13-20-5-3-7-25(19)21-18/h12,17,20H,2-11,13-16H2,1H3/t17-/m0/s1
InChIKeyNKCCEMDDSSWCNZ-KRWDZBQOSA-N
MW346.52 g/mol
LogP0.84
Rot. Bonds4

About 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 95716135) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID95716135
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCCNC4)CC2)C1
InChIInChI=1S/C19H34N6/c1-22-6-2-4-17(14-22)15-23-8-10-24(11-9-23)16-18-12-19-13-20-5-3-7-25(19)21-18/h12,17,20H,2-11,13-16H2,1H3/t17-/m0/s1
InChIKeyNKCCEMDDSSWCNZ-KRWDZBQOSA-N
XLogP0.84
TPSA39.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-({4-[3-(1-Pyrrolidinyl)propyl]-1,4-diazepan-1-yl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56889666
N,N-dimethyl-N'-{[5-(3-piperidinylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}urea dihydrochloride
CID 70736500
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56915169
2-[(2-methyl-2,7-diazaspiro[4.5]dec-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56889504
5-(3-cyclohexen-1-ylmethyl)-2-[(4,4-difluoro-1-piperidinyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910637
N-{[5-(2-methyl-2-piperidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}cyclobutanecarboxamide
CID 72935980
3-[[5-[(2S)-2,6-dimethylhept-5-enyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,1-dimethylurea
CID 96579532
2-[[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 99930069
2-{[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56909002
5-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-[(4,4-difluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 95725504
5-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-[(4,4-difluoropiperidin-1-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 95725505
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893664

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 95716135) is 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is CN1CCC[C@H](CN2CCN(Cc3cc4n(n3)CCCNC4)CC2)C1.
What is the InChIKey of 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is NKCCEMDDSSWCNZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H34N6/c1-22-6-2-4-17(14-22)15-23-8-10-24(11-9-23)16-18-12-19-13-20-5-3-7-25(19)21-18/h12,17,20H,2-11,13-16H2,1H3/t17-/m0/s1.
What are the key properties of 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 346.52 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 95716135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).