N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C29H34N4O3 — CID 134475012

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN1CCC(C)(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1
InChIInChI=1S/C29H34N4O3/c1-29(12-16-33(2)17-13-29)20-31-27(35)25-5-3-4-24(18-25)26(19-34)32-28(36)23-8-6-21(7-9-23)22-10-14-30-15-11-22/h3-11,14-15,18,26,34H,12-13,16-17,19-20H2,1-2H3,(H,31,35)(H,32,36)/t26-/m1/s1
InChIKeyQORLKDHZGBXHRM-AREMUKBSSA-N
MW486.62 g/mol
LogP3.67
Rot. Bonds8

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134475012) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134475012
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCN1CCC(C)(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1
InChIInChI=1S/C29H34N4O3/c1-29(12-16-33(2)17-13-29)20-31-27(35)25-5-3-4-24(18-25)26(19-34)32-28(36)23-8-6-21(7-9-23)22-10-14-30-15-11-22/h3-11,14-15,18,26,34H,12-13,16-17,19-20H2,1-2H3,(H,31,35)(H,32,36)/t26-/m1/s1
InChIKeyQORLKDHZGBXHRM-AREMUKBSSA-N
XLogP3.67
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134475012) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is CN1CCC(C)(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is QORLKDHZGBXHRM-AREMUKBSSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-29(12-16-33(2)17-13-29)20-31-27(35)25-5-3-4-24(18-25)26(19-34)32-28(36)23-8-6-21(7-9-23)22-10-14-30-15-11-22/h3-11,14-15,18,26,34H,12-13,16-17,19-20H2,1-2H3,(H,31,35)(H,32,36)/t26-/m1/s1.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 486.62 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134475012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).