3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

C21H33N3O — CID 119953477

IUPAC3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CCN(CC2CCCN(C(=O)CC(N)c3ccccc3)C2)CC1
InChIInChI=1S/C21H33N3O/c1-17-9-12-23(13-10-17)15-18-6-5-11-24(16-18)21(25)14-20(22)19-7-3-2-4-8-19/h2-4,7-8,17-18,20H,5-6,9-16,22H2,1H3
InChIKeyQDTYMZLCCPQTKQ-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119953477) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119953477
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CCN(CC2CCCN(C(=O)CC(N)c3ccccc3)C2)CC1
InChIInChI=1S/C21H33N3O/c1-17-9-12-23(13-10-17)15-18-6-5-11-24(16-18)21(25)14-20(22)19-7-3-2-4-8-19/h2-4,7-8,17-18,20H,5-6,9-16,22H2,1H3
InChIKeyQDTYMZLCCPQTKQ-UHFFFAOYSA-N
XLogP3.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 56825492
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 56561906
(2S)-2-amino-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 119867618
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 119953477) is 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is CC1CCN(CC2CCCN(C(=O)CC(N)c3ccccc3)C2)CC1.
What is the InChIKey of 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is QDTYMZLCCPQTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-9-12-23(13-10-17)15-18-6-5-11-24(16-18)21(25)14-20(22)19-7-3-2-4-8-19/h2-4,7-8,17-18,20H,5-6,9-16,22H2,1H3.
What are the key properties of 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 343.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119953477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).