N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide

C15H29N3O2 — CID 138665947

IUPACN-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C1CCCCC1)C(O)N1CCN[C@@H](C)C1
InChIInChI=1S/C15H29N3O2/c1-11-10-18(9-8-16-11)15(20)14(17-12(2)19)13-6-4-3-5-7-13/h11,13-16,20H,3-10H2,1-2H3,(H,17,19)/t11-,14-,15?/m0/s1
InChIKeyPANZGUVGWRQUKN-NRHGISANSA-N
MW283.42 g/mol
LogP0.68
Rot. Bonds4

About N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide

N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide (PubChem CID 138665947) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide
PubChem CID138665947
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C1CCCCC1)C(O)N1CCN[C@@H](C)C1
InChIInChI=1S/C15H29N3O2/c1-11-10-18(9-8-16-11)15(20)14(17-12(2)19)13-6-4-3-5-7-13/h11,13-16,20H,3-10H2,1-2H3,(H,17,19)/t11-,14-,15?/m0/s1
InChIKeyPANZGUVGWRQUKN-NRHGISANSA-N
XLogP0.68
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide (CID 138665947) is N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide is CC(=O)N[C@@H](C1CCCCC1)C(O)N1CCN[C@@H](C)C1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is PANZGUVGWRQUKN-NRHGISANSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11-10-18(9-8-16-11)15(20)14(17-12(2)19)13-6-4-3-5-7-13/h11,13-16,20H,3-10H2,1-2H3,(H,17,19)/t11-,14-,15?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide?
N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 283.42 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 138665947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).