N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide

C29H37N5O2 — CID 162643909

IUPACN-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
SMILESCn1cc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cn1
InChIInChI=1S/C29H37N5O2/c1-33-20-26(19-31-33)23-8-10-24(11-9-23)27-17-28(27)30-18-22-12-15-34(16-13-22)14-2-3-21-4-6-25(7-5-21)29(35)32-36/h4-11,19-20,22,27-28,30,36H,2-3,12-18H2,1H3,(H,32,35)/t27-,28+/m1/s1
InChIKeyRHYDLZPXYPVUIP-IZLXSDGUSA-N
MW487.65 g/mol
LogP4.00
Rot. Bonds10

About N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide

N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide (PubChem CID 162643909) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
PubChem CID162643909
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
SMILESCn1cc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cn1
InChIInChI=1S/C29H37N5O2/c1-33-20-26(19-31-33)23-8-10-24(11-9-23)27-17-28(27)30-18-22-12-15-34(16-13-22)14-2-3-21-4-6-25(7-5-21)29(35)32-36/h4-11,19-20,22,27-28,30,36H,2-3,12-18H2,1H3,(H,32,35)/t27-,28+/m1/s1
InChIKeyRHYDLZPXYPVUIP-IZLXSDGUSA-N
XLogP4.00
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]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-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
The IUPAC name of N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide (CID 162643909) is N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
The canonical SMILES for N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide is Cn1cc(-c2ccc([C@H]3C[C@@H]3NCC3CCN(CCCc4ccc(C(=O)NO)cc4)CC3)cc2)cn1.
What is the InChIKey of N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
The InChIKey is RHYDLZPXYPVUIP-IZLXSDGUSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-33-20-26(19-31-33)23-8-10-24(11-9-23)27-17-28(27)30-18-22-12-15-34(16-13-22)14-2-3-21-4-6-25(7-5-21)29(35)32-36/h4-11,19-20,22,27-28,30,36H,2-3,12-18H2,1H3,(H,32,35)/t27-,28+/m1/s1.
What are the key properties of N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide has a molecular weight of 487.65 g/mol, XLogP of 4.00, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[4-[[[(1S,2R)-2-[4-(1-methylpyrazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 162643909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).