3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid

C15H19N3O2 — CID 56777931

IUPAC3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
SMILESN#Cc1ccccc1N1CCC(NCCC(=O)O)CC1
InChIInChI=1S/C15H19N3O2/c16-11-12-3-1-2-4-14(12)18-9-6-13(7-10-18)17-8-5-15(19)20/h1-4,13,17H,5-10H2,(H,19,20)
InChIKeyPCXVSANEFAYFOX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds5

About 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid

3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid (PubChem CID 56777931) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
PubChem CID56777931
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid
SMILESN#Cc1ccccc1N1CCC(NCCC(=O)O)CC1
InChIInChI=1S/C15H19N3O2/c16-11-12-3-1-2-4-14(12)18-9-6-13(7-10-18)17-8-5-15(19)20/h1-4,13,17H,5-10H2,(H,19,20)
InChIKeyPCXVSANEFAYFOX-UHFFFAOYSA-N
XLogP1.59
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
CID 95764839
6-[4-(2-cyanophenyl)piperazin-1-yl]hexanoic acid
CID 69145059
2-[2-[4-(2-aminoethylamino)piperidin-1-yl]phenyl]acetic acid
CID 70170914
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
2-[1-(2-cyanophenyl)azetidin-3-yl]acetic acid
CID 64617866
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
CID 68545719
(2S)-2-[[(3S)-1-(2-cyanophenyl)pyrrolidin-3-yl]amino]propanamide
CID 67060668
5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-4-methoxy-2-methylbenzoic acid
CID 134493291

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid (CID 56777931) is 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid is N#Cc1ccccc1N1CCC(NCCC(=O)O)CC1.
What is the InChIKey of 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid?
The InChIKey is PCXVSANEFAYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-11-12-3-1-2-4-14(12)18-9-6-13(7-10-18)17-8-5-15(19)20/h1-4,13,17H,5-10H2,(H,19,20).
What are the key properties of 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid?
3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid has a molecular weight of 273.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 56777931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).