3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide

C20H27N5O2 — CID 120578527

IUPAC3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H27N5O2/c21-10-9-19(26)22-13-18-8-4-5-11-25(18)20(27)17-12-23-24(15-17)14-16-6-2-1-3-7-16/h1-3,6-7,12,15,18H,4-5,8-11,13-14,21H2,(H,22,26)
InChIKeyCZELPELOGKZRSP-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.39
Rot. Bonds7

About 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120578527) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120578527
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H27N5O2/c21-10-9-19(26)22-13-18-8-4-5-11-25(18)20(27)17-12-23-24(15-17)14-16-6-2-1-3-7-16/h1-3,6-7,12,15,18H,4-5,8-11,13-14,21H2,(H,22,26)
InChIKeyCZELPELOGKZRSP-UHFFFAOYSA-N
XLogP1.39
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649968
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578315
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide (CID 120578527) is 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is CZELPELOGKZRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-10-9-19(26)22-13-18-8-4-5-11-25(18)20(27)17-12-23-24(15-17)14-16-6-2-1-3-7-16/h1-3,6-7,12,15,18H,4-5,8-11,13-14,21H2,(H,22,26).
What are the key properties of 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).