4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide

C13H20N4O — CID 81344365

IUPAC4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
SMILESC[C@H](NC1CCN(C(N)=O)CC1)c1cccnc1
InChIInChI=1S/C13H20N4O/c1-10(11-3-2-6-15-9-11)16-12-4-7-17(8-5-12)13(14)18/h2-3,6,9-10,12,16H,4-5,7-8H2,1H3,(H2,14,18)/t10-/m0/s1
InChIKeyILDUBVAAIGIPLC-JTQLQIEISA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds3

About 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide

4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide (PubChem CID 81344365) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
PubChem CID81344365
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
SMILESC[C@H](NC1CCN(C(N)=O)CC1)c1cccnc1
InChIInChI=1S/C13H20N4O/c1-10(11-3-2-6-15-9-11)16-12-4-7-17(8-5-12)13(14)18/h2-3,6,9-10,12,16H,4-5,7-8H2,1H3,(H2,14,18)/t10-/m0/s1
InChIKeyILDUBVAAIGIPLC-JTQLQIEISA-N
XLogP1.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
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
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
1-pyridin-4-yl-N-(1-pyridin-3-ylethyl)piperidin-4-amine
CID 43343785
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide (CID 81344365) is 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide is C[C@H](NC1CCN(C(N)=O)CC1)c1cccnc1.
What is the InChIKey of 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide?
The InChIKey is ILDUBVAAIGIPLC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(11-3-2-6-15-9-11)16-12-4-7-17(8-5-12)13(14)18/h2-3,6,9-10,12,16H,4-5,7-8H2,1H3,(H2,14,18)/t10-/m0/s1.
What are the key properties of 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide?
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 81344365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).