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

C29H32N4O3 — CID 134475011

IUPACN-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C29H32N4O3/c34-19-27(32-28(35)22-6-4-20(5-7-22)21-10-14-30-15-11-21)23-2-1-3-24(18-23)29(36)31-25-12-16-33(17-13-25)26-8-9-26/h1-7,10-11,14-15,18,25-27,34H,8-9,12-13,16-17,19H2,(H,31,36)(H,32,35)/t27-/m1/s1
InChIKeyODHQORRNOGQKTF-HHHXNRCGSA-N
MW484.60 g/mol
LogP3.57
Rot. Bonds8

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

N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 134475011) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID134475011
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C29H32N4O3/c34-19-27(32-28(35)22-6-4-20(5-7-22)21-10-14-30-15-11-21)23-2-1-3-24(18-23)29(36)31-25-12-16-33(17-13-25)26-8-9-26/h1-7,10-11,14-15,18,25-27,34H,8-9,12-13,16-17,19H2,(H,31,36)(H,32,35)/t27-/m1/s1
InChIKeyODHQORRNOGQKTF-HHHXNRCGSA-N
XLogP3.57
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 134475011) is N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is O=C(NC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is ODHQORRNOGQKTF-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H32N4O3/c34-19-27(32-28(35)22-6-4-20(5-7-22)21-10-14-30-15-11-21)23-2-1-3-24(18-23)29(36)31-25-12-16-33(17-13-25)26-8-9-26/h1-7,10-11,14-15,18,25-27,34H,8-9,12-13,16-17,19H2,(H,31,36)(H,32,35)/t27-/m1/s1.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 3.57, 8 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)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134475011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).