2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide

C19H31N5O2 — CID 119519390

IUPAC2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
SMILESCC(N)C1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H31N5O2/c1-14(20)15-7-9-23(10-8-15)19(26)16-11-21-24(12-16)13-18(25)22-17-5-3-2-4-6-17/h11-12,14-15,17H,2-10,13,20H2,1H3,(H,22,25)
InChIKeyBAGUKFMGVBLDMB-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.53
Rot. Bonds5

About 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide

2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide (PubChem CID 119519390) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
PubChem CID119519390
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
SMILESCC(N)C1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H31N5O2/c1-14(20)15-7-9-23(10-8-15)19(26)16-11-21-24(12-16)13-18(25)22-17-5-3-2-4-6-17/h11-12,14-15,17H,2-10,13,20H2,1H3,(H,22,25)
InChIKeyBAGUKFMGVBLDMB-UHFFFAOYSA-N
XLogP1.53
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
2-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119633259
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
N-cyclohexyl-2-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]acetamide;hydrochloride
CID 119397411
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 120537481
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
2-(4-aminopyrazol-1-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171325

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide (CID 119519390) is 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide is CC(N)C1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is BAGUKFMGVBLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(20)15-7-9-23(10-8-15)19(26)16-11-21-24(12-16)13-18(25)22-17-5-3-2-4-6-17/h11-12,14-15,17H,2-10,13,20H2,1H3,(H,22,25).
What are the key properties of 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide?
2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 361.49 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 119519390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).