(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid

C17H26N2O2 — CID 95804763

IUPAC(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)N1CCC[C@](CCCc2cccnc2)(C(=O)O)C1
InChIInChI=1S/C17H26N2O2/c1-14(2)19-11-5-9-17(13-19,16(20)21)8-3-6-15-7-4-10-18-12-15/h4,7,10,12,14H,3,5-6,8-9,11,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyFVZBLPCZGIQPGW-KRWDZBQOSA-N
MW290.41 g/mol
LogP2.98
Rot. Bonds6

About (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid

(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid (PubChem CID 95804763) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
PubChem CID95804763
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid
SMILESCC(C)N1CCC[C@](CCCc2cccnc2)(C(=O)O)C1
InChIInChI=1S/C17H26N2O2/c1-14(2)19-11-5-9-17(13-19,16(20)21)8-3-6-15-7-4-10-18-12-15/h4,7,10,12,14H,3,5-6,8-9,11,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyFVZBLPCZGIQPGW-KRWDZBQOSA-N
XLogP2.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,1-trimethyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110257993
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
(3R)-1-(oxan-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 95827419
3-(3-phenylpropyl)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 56865026
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
(3S)-N-methyl-1-[(3S)-1-methyl-3-(3-pyridin-3-ylpropyl)piperidine-3-carbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124987137
4-(2-pyridin-3-ylethyl)oxane-4-carboxylic acid
CID 79425505
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902

Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid (CID 95804763) is (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid is CC(C)N1CCC[C@](CCCc2cccnc2)(C(=O)O)C1.
What is the InChIKey of (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid?
The InChIKey is FVZBLPCZGIQPGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)19-11-5-9-17(13-19,16(20)21)8-3-6-15-7-4-10-18-12-15/h4,7,10,12,14H,3,5-6,8-9,11,13H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid?
(3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95804763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).