1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone

C14H21N3O — CID 78950814

IUPAC1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-11(13-4-3-7-15-10-13)16-14-5-8-17(9-6-14)12(2)18/h3-4,7,10-11,14,16H,5-6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyQCNGKGMYACCIRM-NSHDSACASA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone

1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone (PubChem CID 78950814) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
PubChem CID78950814
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-11(13-4-3-7-15-10-13)16-14-5-8-17(9-6-14)12(2)18/h3-4,7,10-11,14,16H,5-6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyQCNGKGMYACCIRM-NSHDSACASA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N,N-dimethyl-2-[4-(1-pyridin-3-ylethylamino)piperidin-1-yl]acetamide
CID 43768106
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393597
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone (CID 78950814) is 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N[C@@H](C)c2cccnc2)CC1.
What is the InChIKey of 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone?
The InChIKey is QCNGKGMYACCIRM-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(13-4-3-7-15-10-13)16-14-5-8-17(9-6-14)12(2)18/h3-4,7,10-11,14,16H,5-6,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone?
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 78950814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).