N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide

C21H34N4O — CID 118776370

IUPACN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)CC1
InChIInChI=1S/C21H34N4O/c1-23-12-9-21(10-13-23,19-6-4-3-5-7-19)18-22-20(26)8-11-25-16-14-24(2)15-17-25/h3-7H,8-18H2,1-2H3,(H,22,26)
InChIKeyAGYZHGGXZAYNAB-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.40
Rot. Bonds6

About N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 118776370) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID118776370
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)CC1
InChIInChI=1S/C21H34N4O/c1-23-12-9-21(10-13-23,19-6-4-3-5-7-19)18-22-20(26)8-11-25-16-14-24(2)15-17-25/h3-7H,8-18H2,1-2H3,(H,22,26)
InChIKeyAGYZHGGXZAYNAB-UHFFFAOYSA-N
XLogP1.40
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 122194375
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-3-pyrrolidin-1-ylpropanamide
CID 129456214
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18133804
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 118776370) is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)NCC2(c3ccccc3)CCN(C)CC2)CC1.
What is the InChIKey of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is AGYZHGGXZAYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-23-12-9-21(10-13-23,19-6-4-3-5-7-19)18-22-20(26)8-11-25-16-14-24(2)15-17-25/h3-7H,8-18H2,1-2H3,(H,22,26).
What are the key properties of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 358.53 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 118776370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).