1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C28H27ClN4O2 — CID 57385795

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H27ClN4O2/c29-24-9-7-20(8-10-24)19-33-25-6-2-1-5-23(25)16-26(33)28(35)32-14-11-22(12-15-32)27(34)31-18-21-4-3-13-30-17-21/h1-10,13,16-17,22H,11-12,14-15,18-19H2,(H,31,34)
InChIKeyWPASWAHUYHRXDR-UHFFFAOYSA-N
MW487.00 g/mol
LogP4.91
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 57385795) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID57385795
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H27ClN4O2/c29-24-9-7-20(8-10-24)19-33-25-6-2-1-5-23(25)16-26(33)28(35)32-14-11-22(12-15-32)27(34)31-18-21-4-3-13-30-17-21/h1-10,13,16-17,22H,11-12,14-15,18-19H2,(H,31,34)
InChIKeyWPASWAHUYHRXDR-UHFFFAOYSA-N
XLogP4.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 57385795) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WPASWAHUYHRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c29-24-9-7-20(8-10-24)19-33-25-6-2-1-5-23(25)16-26(33)28(35)32-14-11-22(12-15-32)27(34)31-18-21-4-3-13-30-17-21/h1-10,13,16-17,22H,11-12,14-15,18-19H2,(H,31,34).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 57385795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).