1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone

C21H27N3O — CID 119374335

IUPAC1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
SMILESNC1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c22-20-11-13-24(14-12-20)21(25)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20H,11-17,22H2
InChIKeyVPBCDPAIYWKGRW-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone

1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone (PubChem CID 119374335) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
PubChem CID119374335
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
SMILESNC1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c22-20-11-13-24(14-12-20)21(25)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20H,11-17,22H2
InChIKeyVPBCDPAIYWKGRW-UHFFFAOYSA-N
XLogP2.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 78840764
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
CID 154869321
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78819158
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
2-[benzyl-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 142196595
1-[3-(dibenzylamino)propyl]piperidin-4-amine
CID 18403417
4-[[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 34941214
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone (CID 119374335) is 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone is NC1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone?
The InChIKey is VPBCDPAIYWKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c22-20-11-13-24(14-12-20)21(25)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20H,11-17,22H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone?
1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone has a molecular weight of 337.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone is sourced from PubChem (CID 119374335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).