(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide

C19H31N5O2 — CID 96581300

IUPAC(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide
SMILESCCCN1CCCn2nc(CNC(=O)[C@@H]3CCCCN3C(C)=O)cc2C1
InChIInChI=1S/C19H31N5O2/c1-3-8-22-9-6-11-24-17(14-22)12-16(21-24)13-20-19(26)18-7-4-5-10-23(18)15(2)25/h12,18H,3-11,13-14H2,1-2H3,(H,20,26)/t18-/m0/s1
InChIKeyDDUVVNLTXHXETQ-SFHVURJKSA-N
MW361.49 g/mol
LogP1.52
Rot. Bonds5

About (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide

(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 96581300) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide
PubChem CID96581300
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide
SMILESCCCN1CCCn2nc(CNC(=O)[C@@H]3CCCCN3C(C)=O)cc2C1
InChIInChI=1S/C19H31N5O2/c1-3-8-22-9-6-11-24-17(14-22)12-16(21-24)13-20-19(26)18-7-4-5-10-23(18)15(2)25/h12,18H,3-11,13-14H2,1-2H3,(H,20,26)/t18-/m0/s1
InChIKeyDDUVVNLTXHXETQ-SFHVURJKSA-N
XLogP1.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 118780767
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70741291
N-[[5-[(3-methyl-1-propylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72926554
N-[[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 72895149
(2R)-N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 96579560
(2S)-N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 121496666
1-(2-phenylethyl)-3-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]urea
CID 70732210
N-[[5-(3-cyclopentylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70766531
2-ethyl-4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 70766629
N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 70714209
1-(4-fluorophenyl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclopropane-1-carboxamide
CID 70767161
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide (CID 96581300) is (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide is CCCN1CCCn2nc(CNC(=O)[C@@H]3CCCCN3C(C)=O)cc2C1.
What is the InChIKey of (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is DDUVVNLTXHXETQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-8-22-9-6-11-24-17(14-22)12-16(21-24)13-20-19(26)18-7-4-5-10-23(18)15(2)25/h12,18H,3-11,13-14H2,1-2H3,(H,20,26)/t18-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide?
(2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 96581300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).