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

C30H29ClN4O3 — CID 66571401

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1COc2cnccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H29ClN4O3/c31-24-7-5-20(6-8-24)18-35-26-4-2-1-3-22(26)15-27(35)30(37)34-13-10-21(11-14-34)29(36)33-16-23-19-38-28-17-32-12-9-25(23)28/h1-9,12,15,17,21,23H,10-11,13-14,16,18-19H2,(H,33,36)
InChIKeyMDEMSMNZGNILAJ-UHFFFAOYSA-N
MW529.04 g/mol
LogP4.88
Rot. Bonds6

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

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 66571401) has the molecular formula C30H29ClN4O3 and a molecular weight of 529.04 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID66571401
Molecular FormulaC30H29ClN4O3
Molecular Weight529.04 g/mol
Exact Mass528.19
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1COc2cnccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H29ClN4O3/c31-24-7-5-20(6-8-24)18-35-26-4-2-1-3-22(26)15-27(35)30(37)34-13-10-21(11-14-34)29(36)33-16-23-19-38-28-17-32-12-9-25(23)28/h1-9,12,15,17,21,23H,10-11,13-14,16,18-19H2,(H,33,36)
InChIKeyMDEMSMNZGNILAJ-UHFFFAOYSA-N
XLogP4.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.04
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 66571401) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCC1COc2cnccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MDEMSMNZGNILAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN4O3/c31-24-7-5-20(6-8-24)18-35-26-4-2-1-3-22(26)15-27(35)30(37)34-13-10-21(11-14-34)29(36)33-16-23-19-38-28-17-32-12-9-25(23)28/h1-9,12,15,17,21,23H,10-11,13-14,16,18-19H2,(H,33,36).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 529.04 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 66571401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).