N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide

C18H28N4O — CID 95267786

IUPACN-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
SMILESCN1CCN(C[C@H](NC(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C18H28N4O/c1-20-11-13-21(14-12-20)15-17(16-7-3-2-4-8-16)19-18(23)22-9-5-6-10-22/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyJKGACSRJYZMDQM-KRWDZBQOSA-N
MW316.45 g/mol
LogP1.78
Rot. Bonds4

About N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide

N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide (PubChem CID 95267786) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
PubChem CID95267786
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
SMILESCN1CCN(C[C@H](NC(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C18H28N4O/c1-20-11-13-21(14-12-20)15-17(16-7-3-2-4-8-16)19-18(23)22-9-5-6-10-22/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyJKGACSRJYZMDQM-KRWDZBQOSA-N
XLogP1.78
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751
1-(3-methyl-2-phenylbutyl)-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
CID 86886133
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
1-[1-(furan-2-yl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]urea
CID 86886356
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 125445404
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide (CID 95267786) is N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide is CN1CCN(C[C@H](NC(=O)N2CCCC2)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide?
The InChIKey is JKGACSRJYZMDQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20-11-13-21(14-12-20)15-17(16-7-3-2-4-8-16)19-18(23)22-9-5-6-10-22/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide?
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95267786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).