N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide

C14H27N3O2 — CID 107222046

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-14(2,17-9-7-15-8-10-17)13(19)16-11-5-3-4-6-12(11)18/h11-12,15,18H,3-10H2,1-2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyPJEBRSCTZASURK-VXGBXAGGSA-N
MW269.39 g/mol
LogP0.09
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 107222046) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID107222046
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-14(2,17-9-7-15-8-10-17)13(19)16-11-5-3-4-6-12(11)18/h11-12,15,18H,3-10H2,1-2H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyPJEBRSCTZASURK-VXGBXAGGSA-N
XLogP0.09
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 107222046) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)N1CCNCC1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is PJEBRSCTZASURK-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,17-9-7-15-8-10-17)13(19)16-11-5-3-4-6-12(11)18/h11-12,15,18H,3-10H2,1-2H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 107222046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).