(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C23H30F3N3O2 — CID 93210061

IUPAC(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H30F3N3O2/c24-23(25,26)19-9-7-18(8-10-19)22(31)29-13-11-28(12-14-29)20(17-3-1-2-4-17)21(30)27-15-16-5-6-16/h7-10,16-17,20H,1-6,11-15H2,(H,27,30)/t20-/m0/s1
InChIKeyOCMZAFHQRNYXEC-FQEVSTJZSA-N
MW437.51 g/mol
LogP3.55
Rot. Bonds6

About (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 93210061) has the molecular formula C23H30F3N3O2 and a molecular weight of 437.51 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID93210061
Molecular FormulaC23H30F3N3O2
Molecular Weight437.51 g/mol
Exact Mass437.23
IUPAC Name(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H30F3N3O2/c24-23(25,26)19-9-7-18(8-10-19)22(31)29-13-11-28(12-14-29)20(17-3-1-2-4-17)21(30)27-15-16-5-6-16/h7-10,16-17,20H,1-6,11-15H2,(H,27,30)/t20-/m0/s1
InChIKeyOCMZAFHQRNYXEC-FQEVSTJZSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 93210061) is (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is O=C(NCC1CC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is OCMZAFHQRNYXEC-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30F3N3O2/c24-23(25,26)19-9-7-18(8-10-19)22(31)29-13-11-28(12-14-29)20(17-3-1-2-4-17)21(30)27-15-16-5-6-16/h7-10,16-17,20H,1-6,11-15H2,(H,27,30)/t20-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 437.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 93210061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).