2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide

C21H29N3O2 — CID 52511276

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C21H29N3O2/c1-16-9-10-18(22-20(25)13-17-7-3-4-8-17)14-19(16)23-21(26)15-24-11-5-2-6-12-24/h3,7,9-10,14,17H,2,4-6,8,11-13,15H2,1H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyXPFVIAPHZIOQDP-QGZVFWFLSA-N
MW355.48 g/mol
LogP3.71
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide (PubChem CID 52511276) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
PubChem CID52511276
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C21H29N3O2/c1-16-9-10-18(22-20(25)13-17-7-3-4-8-17)14-19(16)23-21(26)15-24-11-5-2-6-12-24/h3,7,9-10,14,17H,2,4-6,8,11-13,15H2,1H3,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyXPFVIAPHZIOQDP-QGZVFWFLSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
N-[2-methyl-5-[[2-(2-oxo-1-pyridinyl)acetyl]amino]phenyl]-2-piperidin-1-ylacetamide
CID 86853160
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide
CID 120799124
N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-3-(2-methylpropoxy)propanamide
CID 51126798

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide (CID 52511276) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide is Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide?
The InChIKey is XPFVIAPHZIOQDP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-9-10-18(22-20(25)13-17-7-3-4-8-17)14-19(16)23-21(26)15-24-11-5-2-6-12-24/h3,7,9-10,14,17H,2,4-6,8,11-13,15H2,1H3,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 52511276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).