(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide

C22H32N4O5 — CID 93209430

IUPAC(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C22H32N4O5/c1-31-16-4-11-23-21(27)20(17-5-2-3-6-17)24-12-14-25(15-13-24)22(28)18-7-9-19(10-8-18)26(29)30/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeySFUZAAPVVLAVQO-HXUWFJFHSA-N
MW432.52 g/mol
LogP2.06
Rot. Bonds9

About (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide

(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide (PubChem CID 93209430) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
PubChem CID93209430
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Name(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C22H32N4O5/c1-31-16-4-11-23-21(27)20(17-5-2-3-6-17)24-12-14-25(15-13-24)22(28)18-7-9-19(10-8-18)26(29)30/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,27)/t20-/m1/s1
InChIKeySFUZAAPVVLAVQO-HXUWFJFHSA-N
XLogP2.06
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210129
2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
CID 42842568
(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93211013
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 42842571
N-(3-methoxypropyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 125145382
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 46024051
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 42842553
2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024383
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide (CID 93209430) is (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide is COCCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is SFUZAAPVVLAVQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-31-16-4-11-23-21(27)20(17-5-2-3-6-17)24-12-14-25(15-13-24)22(28)18-7-9-19(10-8-18)26(29)30/h7-10,17,20H,2-6,11-16H2,1H3,(H,23,27)/t20-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide?
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 432.52 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 93209430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).