N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide

C23H30N4O — CID 137371248

IUPACN-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3cccnc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C23H30N4O/c1-2-22(28)27(21-8-4-3-5-9-21)19-23(10-11-23)26-15-13-25(14-16-26)18-20-7-6-12-24-17-20/h3-9,12,17H,2,10-11,13-16,18-19H2,1H3
InChIKeyPBWCXCPKUXPPLJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.17
Rot. Bonds7

About N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide

N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide (PubChem CID 137371248) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
PubChem CID137371248
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3cccnc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C23H30N4O/c1-2-22(28)27(21-8-4-3-5-9-21)19-23(10-11-23)26-15-13-25(14-16-26)18-20-7-6-12-24-17-20/h3-9,12,17H,2,10-11,13-16,18-19H2,1H3
InChIKeyPBWCXCPKUXPPLJ-UHFFFAOYSA-N
XLogP3.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371237
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508904
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110876658
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-(3-cyano-2-pyridinyl)propanamide
CID 126538882
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452
(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572632

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide?
The IUPAC name of N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide (CID 137371248) is N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide.
What is the SMILES notation for N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide?
The canonical SMILES for N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide is CCC(=O)N(CC1(N2CCN(Cc3cccnc3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide?
The InChIKey is PBWCXCPKUXPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-22(28)27(21-8-4-3-5-9-21)19-23(10-11-23)26-15-13-25(14-16-26)18-20-7-6-12-24-17-20/h3-9,12,17H,2,10-11,13-16,18-19H2,1H3.
What are the key properties of N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide?
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide has a molecular weight of 378.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide is sourced from PubChem (CID 137371248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).