2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid

C21H25N3O3 — CID 146133775

IUPAC2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NC(Cc2ccccn2)c2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c25-20(26)13-16-7-6-12-24(15-16)21(27)23-19(17-8-2-1-3-9-17)14-18-10-4-5-11-22-18/h1-5,8-11,16,19H,6-7,12-15H2,(H,23,27)(H,25,26)
InChIKeyKZKLGUVJXJYLBN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid

2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 146133775) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID146133775
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NC(Cc2ccccn2)c2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c25-20(26)13-16-7-6-12-24(15-16)21(27)23-19(17-8-2-1-3-9-17)14-18-10-4-5-11-22-18/h1-5,8-11,16,19H,6-7,12-15H2,(H,23,27)(H,25,26)
InChIKeyKZKLGUVJXJYLBN-UHFFFAOYSA-N
XLogP3.26
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 127929790
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 134541281
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 123233859
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid (CID 146133775) is 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NC(Cc2ccccn2)c2ccccc2)C1.
What is the InChIKey of 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is KZKLGUVJXJYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(26)13-16-7-6-12-24(15-16)21(27)23-19(17-8-2-1-3-9-17)14-18-10-4-5-11-22-18/h1-5,8-11,16,19H,6-7,12-15H2,(H,23,27)(H,25,26).
What are the key properties of 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 146133775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).