N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide

C15H24N4O — CID 83262155

IUPACN,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide
SMILESC[C@H](NC1CCN(C(=O)N(C)C)CC1)c1ccccn1
InChIInChI=1S/C15H24N4O/c1-12(14-6-4-5-9-16-14)17-13-7-10-19(11-8-13)15(20)18(2)3/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyKLUWESOCPKCXOL-LBPRGKRZSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds3

About N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide

N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide (PubChem CID 83262155) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide
PubChem CID83262155
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide
SMILESC[C@H](NC1CCN(C(=O)N(C)C)CC1)c1ccccn1
InChIInChI=1S/C15H24N4O/c1-12(14-6-4-5-9-16-14)17-13-7-10-19(11-8-13)15(20)18(2)3/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyKLUWESOCPKCXOL-LBPRGKRZSA-N
XLogP1.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide (CID 83262155) is N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide is C[C@H](NC1CCN(C(=O)N(C)C)CC1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide?
The InChIKey is KLUWESOCPKCXOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(14-6-4-5-9-16-14)17-13-7-10-19(11-8-13)15(20)18(2)3/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide?
N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 83262155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).