2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide

C19H32N4O — CID 120595902

IUPAC2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
SMILESCN(C)CCN1CCC(CNC(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-19(20,17-7-5-4-6-8-17)18(24)21-15-16-9-11-23(12-10-16)14-13-22(2)3/h4-8,16H,9-15,20H2,1-3H3,(H,21,24)
InChIKeyOYXVPDBNLUGHCV-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.25
Rot. Bonds7

About 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide

2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide (PubChem CID 120595902) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
PubChem CID120595902
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
SMILESCN(C)CCN1CCC(CNC(=O)C(C)(N)c2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-19(20,17-7-5-4-6-8-17)18(24)21-15-16-9-11-23(12-10-16)14-13-22(2)3/h4-8,16H,9-15,20H2,1-3H3,(H,21,24)
InChIKeyOYXVPDBNLUGHCV-UHFFFAOYSA-N
XLogP1.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
2-amino-2-phenyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
CID 120597411
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120596259
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
CID 126768915
2-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-phenylpropanamide;dihydrochloride
CID 120595897
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide (CID 120595902) is 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide is CN(C)CCN1CCC(CNC(=O)C(C)(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide?
The InChIKey is OYXVPDBNLUGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(20,17-7-5-4-6-8-17)18(24)21-15-16-9-11-23(12-10-16)14-13-22(2)3/h4-8,16H,9-15,20H2,1-3H3,(H,21,24).
What are the key properties of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide?
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide has a molecular weight of 332.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 120595902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).