4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide

C27H35N7O2 — CID 46911300

IUPAC4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
SMILESCn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cccn4)CC3)cc2)CC1
InChIInChI=1S/C27H35N7O2/c1-30-13-2-4-25(30)26(35)32-18-20-33(21-19-32)27(36)29-23-5-7-24(8-6-23)31-15-9-22(10-16-31)11-17-34-14-3-12-28-34/h2-8,12-14,22H,9-11,15-21H2,1H3,(H,29,36)
InChIKeyYNDOYMIWZOONKU-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.52
Rot. Bonds6

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

4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide (PubChem CID 46911300) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
PubChem CID46911300
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
SMILESCn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cccn4)CC3)cc2)CC1
InChIInChI=1S/C27H35N7O2/c1-30-13-2-4-25(30)26(35)32-18-20-33(21-19-32)27(36)29-23-5-7-24(8-6-23)31-15-9-22(10-16-31)11-17-34-14-3-12-28-34/h2-8,12-14,22H,9-11,15-21H2,1H3,(H,29,36)
InChIKeyYNDOYMIWZOONKU-UHFFFAOYSA-N
XLogP3.52
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
N-[4-(2-ethylpiperidin-1-yl)phenyl]-4-(1-methylpyrrole-2-carbonyl)piperazine-1-carboxamide
CID 66584478
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
4-[[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 135099789
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125172810
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide (CID 46911300) is 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide is Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cccn4)CC3)cc2)CC1.
What is the InChIKey of 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
The InChIKey is YNDOYMIWZOONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-30-13-2-4-25(30)26(35)32-18-20-33(21-19-32)27(36)29-23-5-7-24(8-6-23)31-15-9-22(10-16-31)11-17-34-14-3-12-28-34/h2-8,12-14,22H,9-11,15-21H2,1H3,(H,29,36).
What are the key properties of 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 46911300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).