N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide

C21H37N5O — CID 164639511

IUPACN-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C21H37N5O/c1-17-21(18(2)23(4)22-17)16-25-12-8-9-20(15-25)26(19(3)27)14-13-24-10-6-5-7-11-24/h20H,5-16H2,1-4H3/t20-/m0/s1
InChIKeyXRELFOVBJUEGCS-FQEVSTJZSA-N
MW375.56 g/mol
LogP2.34
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide

N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 164639511) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
PubChem CID164639511
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC NameN-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C21H37N5O/c1-17-21(18(2)23(4)22-17)16-25-12-8-9-20(15-25)26(19(3)27)14-13-24-10-6-5-7-11-24/h20H,5-16H2,1-4H3/t20-/m0/s1
InChIKeyXRELFOVBJUEGCS-FQEVSTJZSA-N
XLogP2.34
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide with MolForge

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Related Compounds

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
1-Cyclohexyl-4-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]piperazin-2-one
CID 25914578
(5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)(3-methylpiperidin-1-yl)methanone
CID 45502097
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063
1-Cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
CID 56703940
1-Methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
CID 56728243
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97404991
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97516891

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide (CID 164639511) is N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide is CC(=O)N(CCN1CCCCC1)[C@H]1CCCN(Cc2c(C)nn(C)c2C)C1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is XRELFOVBJUEGCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H37N5O/c1-17-21(18(2)23(4)22-17)16-25-12-8-9-20(15-25)26(19(3)27)14-13-24-10-6-5-7-11-24/h20H,5-16H2,1-4H3/t20-/m0/s1.
What are the key properties of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 375.56 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 164639511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).