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

C30H34N4O3 — CID 134475009

IUPACN-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C30H34N4O3/c35-20-28(33-30(37)24-6-4-22(5-7-24)23-10-14-31-15-11-23)25-2-1-3-26(18-25)29(36)32-19-21-12-16-34(17-13-21)27-8-9-27/h1-7,10-11,14-15,18,21,27-28,35H,8-9,12-13,16-17,19-20H2,(H,32,36)(H,33,37)/t28-/m1/s1
InChIKeyICCQXJYEJAVCEA-MUUNZHRXSA-N
MW498.63 g/mol
LogP3.82
Rot. Bonds9

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

N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134475009) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134475009
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C30H34N4O3/c35-20-28(33-30(37)24-6-4-22(5-7-24)23-10-14-31-15-11-23)25-2-1-3-26(18-25)29(36)32-19-21-12-16-34(17-13-21)27-8-9-27/h1-7,10-11,14-15,18,21,27-28,35H,8-9,12-13,16-17,19-20H2,(H,32,36)(H,33,37)/t28-/m1/s1
InChIKeyICCQXJYEJAVCEA-MUUNZHRXSA-N
XLogP3.82
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134475009) is N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is O=C(NCC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is ICCQXJYEJAVCEA-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H34N4O3/c35-20-28(33-30(37)24-6-4-22(5-7-24)23-10-14-31-15-11-23)25-2-1-3-26(18-25)29(36)32-19-21-12-16-34(17-13-21)27-8-9-27/h1-7,10-11,14-15,18,21,27-28,35H,8-9,12-13,16-17,19-20H2,(H,32,36)(H,33,37)/t28-/m1/s1.
What are the key properties of N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 498.63 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134475009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).