4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

C24H24N5O2+ — CID 7189487

IUPAC4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc[nH+]c1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H23N5O2/c25-17-20-7-4-12-26-23(20)28-13-15-29(16-14-28)24(30)27-21-8-10-22(11-9-21)31-18-19-5-2-1-3-6-19/h1-12H,13-16,18H2,(H,27,30)/p+1
InChIKeyKYSUOGUUHDNDJO-UHFFFAOYSA-O
MW414.49 g/mol
LogP3.31
Rot. Bonds5

About 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (PubChem CID 7189487) has the molecular formula C24H24N5O2+ and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
PubChem CID7189487
Molecular FormulaC24H24N5O2+
Molecular Weight414.49 g/mol
Exact Mass414.19
IUPAC Name4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESN#Cc1ccc[nH+]c1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H23N5O2/c25-17-20-7-4-12-26-23(20)28-13-15-29(16-14-28)24(30)27-21-8-10-22(11-9-21)31-18-19-5-2-1-3-6-19/h1-12H,13-16,18H2,(H,27,30)/p+1
InChIKeyKYSUOGUUHDNDJO-UHFFFAOYSA-O
XLogP3.31
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 58462419
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
2-(4-benzoylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile
CID 6930353
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
CID 2960552

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (CID 7189487) is 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is N#Cc1ccc[nH+]c1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KYSUOGUUHDNDJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N5O2/c25-17-20-7-4-12-26-23(20)28-13-15-29(16-14-28)24(30)27-21-8-10-22(11-9-21)31-18-19-5-2-1-3-6-19/h1-12H,13-16,18H2,(H,27,30)/p+1.
What are the key properties of 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopyridin-1-ium-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 7189487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).