1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid

C15H21N3O3 — CID 103258227

IUPAC1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESC[C@H](NCC(=O)N1CCC(C(=O)O)CC1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c1-11(13-3-2-6-16-9-13)17-10-14(19)18-7-4-12(5-8-18)15(20)21/h2-3,6,9,11-12,17H,4-5,7-8,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyKPOXOXKRVRTXQU-NSHDSACASA-N
MW291.35 g/mol
LogP1.06
Rot. Bonds5

About 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103258227) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103258227
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESC[C@H](NCC(=O)N1CCC(C(=O)O)CC1)c1cccnc1
InChIInChI=1S/C15H21N3O3/c1-11(13-3-2-6-16-9-13)17-10-14(19)18-7-4-12(5-8-18)15(20)21/h2-3,6,9,11-12,17H,4-5,7-8,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyKPOXOXKRVRTXQU-NSHDSACASA-N
XLogP1.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103248696
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid (CID 103258227) is 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid is C[C@H](NCC(=O)N1CCC(C(=O)O)CC1)c1cccnc1.
What is the InChIKey of 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is KPOXOXKRVRTXQU-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(13-3-2-6-16-9-13)17-10-14(19)18-7-4-12(5-8-18)15(20)21/h2-3,6,9,11-12,17H,4-5,7-8,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103258227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).