(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C15H29N3O — CID 99776273

IUPAC(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)[C@@H](N)C2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-8-10-18(11-9-17)15(19)14(16)13-6-4-3-5-7-13/h12-14H,3-11,16H2,1-2H3/t14-/m0/s1
InChIKeyYAQDKCKMBPDKSH-AWEZNQCLSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds3

About (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone

(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 99776273) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID99776273
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)[C@@H](N)C2CCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)17-8-10-18(11-9-17)15(19)14(16)13-6-4-3-5-7-13/h12-14H,3-11,16H2,1-2H3/t14-/m0/s1
InChIKeyYAQDKCKMBPDKSH-AWEZNQCLSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
N-(tert-butyl)decahydroisoquinoline-3-carboxamide
CID 3667935
Pexantel
CID 667497
3-Cyclopentyl-1-(piperazin-1-yl)propan-1-one
CID 767567
(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
N,N'-propane-1,2-diyldicyclohexanecarboxamide
CID 2921928
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
(S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl)-ethanone
CID 44403068
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 99776273) is (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)[C@@H](N)C2CCCCC2)CC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is YAQDKCKMBPDKSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)17-8-10-18(11-9-17)15(19)14(16)13-6-4-3-5-7-13/h12-14H,3-11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 99776273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).