(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide

C22H33N3O3 — CID 93209461

IUPAC(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-11-23-21(26)20(17-7-4-5-8-17)24-12-14-25(15-13-24)22(27)18-9-6-10-19(16-18)28-2/h6,9-10,16-17,20H,3-5,7-8,11-15H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyDQTSSDLJYRMSFM-FQEVSTJZSA-N
MW387.52 g/mol
LogP2.54
Rot. Bonds7

About (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide

(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 93209461) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
PubChem CID93209461
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C22H33N3O3/c1-3-11-23-21(26)20(17-7-4-5-8-17)24-12-14-25(15-13-24)22(27)18-9-6-10-19(16-18)28-2/h6,9-10,16-17,20H,3-5,7-8,11-15H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyDQTSSDLJYRMSFM-FQEVSTJZSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 93210502
2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46024433
2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842761
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42842766
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 46020204
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide (CID 93209461) is (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is DQTSSDLJYRMSFM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-11-23-21(26)20(17-7-4-5-8-17)24-12-14-25(15-13-24)22(27)18-9-6-10-19(16-18)28-2/h6,9-10,16-17,20H,3-5,7-8,11-15H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide?
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 387.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 93209461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).