N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

C31H32N4O3 — CID 67113301

IUPACN-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)ccc2n1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C31H32N4O3/c1-20-18-23-19-25(33-31(38)21-2-9-26(10-3-21)34-16-14-28(36)15-17-34)8-13-29(23)35(20)27-11-4-22(5-12-27)30(37)32-24-6-7-24/h2-5,8-13,18-19,24,28,36H,6-7,14-17H2,1H3,(H,32,37)(H,33,38)
InChIKeyVTERMHPDCPFSHP-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.04
Rot. Bonds6

About N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 67113301) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID67113301
Molecular FormulaC31H32N4O3
Molecular Weight508.62 g/mol
Exact Mass508.25
IUPAC NameN-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESCc1cc2cc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)ccc2n1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C31H32N4O3/c1-20-18-23-19-25(33-31(38)21-2-9-26(10-3-21)34-16-14-28(36)15-17-34)8-13-29(23)35(20)27-11-4-22(5-12-27)30(37)32-24-6-7-24/h2-5,8-13,18-19,24,28,36H,6-7,14-17H2,1H3,(H,32,37)(H,33,38)
InChIKeyVTERMHPDCPFSHP-UHFFFAOYSA-N
XLogP5.04
TPSA86.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]indol-5-yl]benzamide
CID 86674028
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 67114185
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
CID 111331639
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 67113301) is N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is Cc1cc2cc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)ccc2n1-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is VTERMHPDCPFSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-20-18-23-19-25(33-31(38)21-2-9-26(10-3-21)34-16-14-28(36)15-17-34)8-13-29(23)35(20)27-11-4-22(5-12-27)30(37)32-24-6-7-24/h2-5,8-13,18-19,24,28,36H,6-7,14-17H2,1H3,(H,32,37)(H,33,38).
What are the key properties of N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 508.62 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 67113301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).