(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide

C24H41N5O3 — CID 90860717

IUPAC(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)C(NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1ncc(CN2CCCCC2)[nH]1
InChIInChI=1S/C24H41N5O3/c1-24(2,3)21(22-25-14-20(26-22)16-28-11-7-4-8-12-28)27-23(31)19(15-29(32)17-30)13-18-9-5-6-10-18/h14,17-19,21,32H,4-13,15-16H2,1-3H3,(H,25,26)(H,27,31)/t19-,21?/m1/s1
InChIKeyCHTVUTJKQTXVGG-YMBRHYMPSA-N
MW447.62 g/mol
LogP3.64
Rot. Bonds10

About (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 90860717) has the molecular formula C24H41N5O3 and a molecular weight of 447.62 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID90860717
Molecular FormulaC24H41N5O3
Molecular Weight447.62 g/mol
Exact Mass447.32
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)C(NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1ncc(CN2CCCCC2)[nH]1
InChIInChI=1S/C24H41N5O3/c1-24(2,3)21(22-25-14-20(26-22)16-28-11-7-4-8-12-28)27-23(31)19(15-29(32)17-30)13-18-9-5-6-10-18/h14,17-19,21,32H,4-13,15-16H2,1-3H3,(H,25,26)(H,27,31)/t19-,21?/m1/s1
InChIKeyCHTVUTJKQTXVGG-YMBRHYMPSA-N
XLogP3.64
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide 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 (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide (CID 90860717) is (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide is CC(C)(C)C(NC(=O)[C@H](CC1CCCC1)CN(O)C=O)c1ncc(CN2CCCCC2)[nH]1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is CHTVUTJKQTXVGG-YMBRHYMPSA-N. The full InChI is InChI=1S/C24H41N5O3/c1-24(2,3)21(22-25-14-20(26-22)16-28-11-7-4-8-12-28)27-23(31)19(15-29(32)17-30)13-18-9-5-6-10-18/h14,17-19,21,32H,4-13,15-16H2,1-3H3,(H,25,26)(H,27,31)/t19-,21?/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 447.62 g/mol, XLogP of 3.64, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-[5-(piperidin-1-ylmethyl)-1H-imidazol-2-yl]propyl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 90860717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).