1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide

C14H27N3O2 — CID 93370949

IUPAC1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCCC[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-5-6-12(15)14(19)17-9-7-11(8-10-17)13(18)16(2)3/h11-12H,4-10,15H2,1-3H3/t12-/m0/s1
InChIKeyBRDDJOQFGMPMEK-LBPRGKRZSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds5

About 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 93370949) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID93370949
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCCC[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-5-6-12(15)14(19)17-9-7-11(8-10-17)13(18)16(2)3/h11-12H,4-10,15H2,1-3H3/t12-/m0/s1
InChIKeyBRDDJOQFGMPMEK-LBPRGKRZSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 93370949) is 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide is CCCC[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is BRDDJOQFGMPMEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-6-12(15)14(19)17-9-7-11(8-10-17)13(18)16(2)3/h11-12H,4-10,15H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 93370949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).