2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C14H22N4O3 — CID 63135004

IUPAC2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCCC1(C(=O)Nc2cnn(CC(=O)O)c2)CCCNC1
InChIInChI=1S/C14H22N4O3/c1-2-4-14(5-3-6-15-10-14)13(21)17-11-7-16-18(8-11)9-12(19)20/h7-8,15H,2-6,9-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyPBXCTCJDZDCBGX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.08
Rot. Bonds6

About 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 63135004) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID63135004
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCCC1(C(=O)Nc2cnn(CC(=O)O)c2)CCCNC1
InChIInChI=1S/C14H22N4O3/c1-2-4-14(5-3-6-15-10-14)13(21)17-11-7-16-18(8-11)9-12(19)20/h7-8,15H,2-6,9-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyPBXCTCJDZDCBGX-UHFFFAOYSA-N
XLogP1.08
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazol-4-yl)-3-propylpiperidine-3-carboxamide
CID 55166040
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
CID 63139510
2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 106980427
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
1-(aminomethyl)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 81489718
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 102656073
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-propylpiperidine-3-carboxamide
CID 63134965
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 63135004) is 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is CCCC1(C(=O)Nc2cnn(CC(=O)O)c2)CCCNC1.
What is the InChIKey of 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is PBXCTCJDZDCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-4-14(5-3-6-15-10-14)13(21)17-11-7-16-18(8-11)9-12(19)20/h7-8,15H,2-6,9-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63135004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).