(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide

C17H33N3O — CID 100844185

IUPAC(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESC[C@H](C(=O)N(C)C)N1CCC[C@@H](CN2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-15(17(21)18(2)3)20-12-8-9-16(14-20)13-19-10-6-4-5-7-11-19/h15-16H,4-14H2,1-3H3/t15-,16+/m1/s1
InChIKeyXSNBKUSCQQXHPM-CVEARBPZSA-N
MW295.47 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide

(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 100844185) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID100844185
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide
SMILESC[C@H](C(=O)N(C)C)N1CCC[C@@H](CN2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-15(17(21)18(2)3)20-12-8-9-16(14-20)13-19-10-6-4-5-7-11-19/h15-16H,4-14H2,1-3H3/t15-,16+/m1/s1
InChIKeyXSNBKUSCQQXHPM-CVEARBPZSA-N
XLogP2.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
CID 119135088
(2S)-2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 100881377
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 100838637
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N,N-dimethylpropanamide
CID 114510876
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide (CID 100844185) is (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide is C[C@H](C(=O)N(C)C)N1CCC[C@@H](CN2CCCCCC2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is XSNBKUSCQQXHPM-CVEARBPZSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(17(21)18(2)3)20-12-8-9-16(14-20)13-19-10-6-4-5-7-11-19/h15-16H,4-14H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide?
(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 295.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 100844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).