2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid

C14H19N3O3 — CID 61196830

IUPAC2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCc1ccncc1
InChIInChI=1S/C14H19N3O3/c18-13(19)9-12-3-1-2-8-17(12)14(20)16-10-11-4-6-15-7-5-11/h4-7,12H,1-3,8-10H2,(H,16,20)(H,18,19)
InChIKeyFCGBMFJCXXJKBK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 61196830) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID61196830
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCc1ccncc1
InChIInChI=1S/C14H19N3O3/c18-13(19)9-12-3-1-2-8-17(12)14(20)16-10-11-4-6-15-7-5-11/h4-7,12H,1-3,8-10H2,(H,16,20)(H,18,19)
InChIKeyFCGBMFJCXXJKBK-UHFFFAOYSA-N
XLogP1.62
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61371555
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63309541
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619007
2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 131944572
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid (CID 61196830) is 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)NCc1ccncc1.
What is the InChIKey of 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is FCGBMFJCXXJKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)9-12-3-1-2-8-17(12)14(20)16-10-11-4-6-15-7-5-11/h4-7,12H,1-3,8-10H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61196830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).