3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride

C17H29Cl2N3O — CID 119953137

IUPAC3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14(13-20-10-6-3-7-11-20)19-17(21)12-16(18)15-8-4-2-5-9-15;;/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21);2*1H
InChIKeyPNVXHQFJYSKRKU-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.91
Rot. Bonds6

About 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride

3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride (PubChem CID 119953137) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
PubChem CID119953137
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)CC(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-14(13-20-10-6-3-7-11-20)19-17(21)12-16(18)15-8-4-2-5-9-15;;/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21);2*1H
InChIKeyPNVXHQFJYSKRKU-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119950764
(2S)-2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851464
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
CID 110624490
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride (CID 119953137) is 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride is CC(CN1CCCCC1)NC(=O)CC(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
The InChIKey is PNVXHQFJYSKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-14(13-20-10-6-3-7-11-20)19-17(21)12-16(18)15-8-4-2-5-9-15;;/h2,4-5,8-9,14,16H,3,6-7,10-13,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride?
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119953137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).