(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide

C23H34N4O2 — CID 93209658

IUPAC(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(25-17-18-6-5-11-24-16-18)21(19-7-1-2-8-19)26-12-14-27(15-13-26)23(29)20-9-3-4-10-20/h5-6,11,16,19-21H,1-4,7-10,12-15,17H2,(H,25,28)/t21-/m1/s1
InChIKeyZGNTYAASJYHBRP-OAQYLSRUSA-N
MW398.55 g/mol
LogP2.59
Rot. Bonds6

About (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide

(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 93209658) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID93209658
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(NCc1cccnc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(25-17-18-6-5-11-24-16-18)21(19-7-1-2-8-19)26-12-14-27(15-13-26)23(29)20-9-3-4-10-20/h5-6,11,16,19-21H,1-4,7-10,12-15,17H2,(H,25,28)/t21-/m1/s1
InChIKeyZGNTYAASJYHBRP-OAQYLSRUSA-N
XLogP2.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46024445
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 42842561
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42842428
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 93210191
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 24719963
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420
4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 42843458
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-methylacetamide
CID 24719259
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide (CID 93209658) is (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide is O=C(NCc1cccnc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZGNTYAASJYHBRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N4O2/c28-22(25-17-18-6-5-11-24-16-18)21(19-7-1-2-8-19)26-12-14-27(15-13-26)23(29)20-9-3-4-10-20/h5-6,11,16,19-21H,1-4,7-10,12-15,17H2,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide?
(2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 398.55 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 93209658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).