cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide

C27H43N3O — CID 69231285

IUPACcis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]1CN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C27H43N3O/c1-26(2)16-21(17-27(3,4)19-26)22-9-7-8-10-24(22)30-13-11-29(12-14-30)18-20-15-23(20)25(31)28(5)6/h7-10,20-21,23H,11-19H2,1-6H3/t20-,23+/m0/s1
InChIKeyVOHBPPMERAYRGF-NZQKXSOJSA-N
MW425.66 g/mol
LogP4.85
Rot. Bonds5

About cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide

cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 69231285) has the molecular formula C27H43N3O and a molecular weight of 425.66 g/mol. Its IUPAC name is cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
PubChem CID69231285
Molecular FormulaC27H43N3O
Molecular Weight425.66 g/mol
Exact Mass425.34
IUPAC Namecis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@H]1CN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C27H43N3O/c1-26(2)16-21(17-27(3,4)19-26)22-9-7-8-10-24(22)30-13-11-29(12-14-30)18-20-15-23(20)25(31)28(5)6/h7-10,20-21,23H,11-19H2,1-6H3/t20-,23+/m0/s1
InChIKeyVOHBPPMERAYRGF-NZQKXSOJSA-N
XLogP4.85
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.66
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142968
1-pentyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142693
1-propan-2-yl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23141814
2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]butanenitrile
CID 23142337
1-butyl-4-[2-(3,3,4,4-tetramethylcyclopentyl)phenyl]piperazine
CID 11198672
4-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]morpholine
CID 23141870
1-(cyclopropylmethyl)-4-[4-pyridin-2-yl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142800
1-(cyclopropylmethyl)-4-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;hydrochloride
CID 23142174
1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 23142557
1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 11245244
1-(cyclopropylmethyl)-4-[5-(furan-3-yl)-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
CID 23142943
[4-(4-butylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]-morpholin-4-ylmethanone
CID 58767727

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide (CID 69231285) is cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide is CN(C)C(=O)[C@@H]1C[C@H]1CN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is VOHBPPMERAYRGF-NZQKXSOJSA-N. The full InChI is InChI=1S/C27H43N3O/c1-26(2)16-21(17-27(3,4)19-26)22-9-7-8-10-24(22)30-13-11-29(12-14-30)18-20-15-23(20)25(31)28(5)6/h7-10,20-21,23H,11-19H2,1-6H3/t20-,23+/m0/s1.
What are the key properties of cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide?
cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 425.66 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N,N-dimethyl-2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 69231285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).