N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide

C24H33N5O2 — CID 66584478

IUPACN-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide
SMILESCCC1CCCCN1c1ccc(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-20-7-4-5-14-29(20)21-11-9-19(10-12-21)25-24(31)28-17-15-27(16-18-28)23(30)22-8-6-13-26(22)2/h6,8-13,20H,3-5,7,14-18H2,1-2H3,(H,25,31)
InChIKeyJYRIAZCRWACFHB-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide

N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide (PubChem CID 66584478) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide
PubChem CID66584478
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide
SMILESCCC1CCCCN1c1ccc(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-20-7-4-5-14-29(20)21-11-9-19(10-12-21)25-24(31)28-17-15-27(16-18-28)23(30)22-8-6-13-26(22)2/h6,8-13,20H,3-5,7,14-18H2,1-2H3,(H,25,31)
InChIKeyJYRIAZCRWACFHB-UHFFFAOYSA-N
XLogP3.78
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 46911300
N-[4-(2-ethylpiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 112985422
N-[4-(2-ethylpiperidin-1-yl)phenyl]-2-methylpropanamide
CID 112985421
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429
N-[4-[4-[[4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoyl]amino]anilino]phenyl]-1-methylpyrrole-2-carboxamide
CID 71009266
N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide
CID 112985435
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide (CID 66584478) is N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide is CCC1CCCCN1c1ccc(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is JYRIAZCRWACFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-20-7-4-5-14-29(20)21-11-9-19(10-12-21)25-24(31)28-17-15-27(16-18-28)23(30)22-8-6-13-26(22)2/h6,8-13,20H,3-5,7,14-18H2,1-2H3,(H,25,31).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide?
N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 66584478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).