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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Related Compounds

1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
2-[4-(2-aminohexanoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937695
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628

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).