(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 81125925

IUPAC(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(4-3-11-5-7-15-8-6-11)16-9-1-2-12(10-16)14(18)19/h11-12,15H,1-10H2,(H,18,19)/t12-/m0/s1
InChIKeyRYSJOKGMKFTTRB-LBPRGKRZSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds4

About (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid

(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 81125925) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
PubChem CID81125925
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(4-3-11-5-7-15-8-6-11)16-9-1-2-12(10-16)14(18)19/h11-12,15H,1-10H2,(H,18,19)/t12-/m0/s1
InChIKeyRYSJOKGMKFTTRB-LBPRGKRZSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3S)-3-(cyclohexanecarbonylamino)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 23533823
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
3-methyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 70094312
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
(2S)-2-amino-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 58942662
(2S)-2-[[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]methyl]but-3-ynoic acid
CID 18734728
(2S)-2-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]pent-4-enoic acid
CID 70111505
2-[[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]benzoic acid
CID 22466251
2-acetamido-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid;hydrochloride
CID 70111137
(2R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-2-(propanoylamino)propanoic acid
CID 58942672

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid (CID 81125925) is (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1.
What is the InChIKey of (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is RYSJOKGMKFTTRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(4-3-11-5-7-15-8-6-11)16-9-1-2-12(10-16)14(18)19/h11-12,15H,1-10H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid?
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).