cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C20H32N4O2 — CID 135116609

IUPACcis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-22-15-11-21-18(22)10-7-12-23(2)19(25)16-8-3-4-9-17(16)20(26)24-13-5-6-14-24/h11,15-17H,3-10,12-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyDLUUJZFJICGHSA-DLBZAZTESA-N
MW360.50 g/mol
LogP2.24
Rot. Bonds6

About cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 135116609) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID135116609
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Namecis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-22-15-11-21-18(22)10-7-12-23(2)19(25)16-8-3-4-9-17(16)20(26)24-13-5-6-14-24/h11,15-17H,3-10,12-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyDLUUJZFJICGHSA-DLBZAZTESA-N
XLogP2.24
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 91792038
(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133133235
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
3-(3-fluoro-5-methylphenyl)-1-methyl-1-[3-(1-methylimidazol-2-yl)propyl]urea
CID 118794217
1-(2-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533280
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
CID 91784001
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 135116609) is cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CN(CCCc1nccn1C)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is DLUUJZFJICGHSA-DLBZAZTESA-N. The full InChI is InChI=1S/C20H32N4O2/c1-22-15-11-21-18(22)10-7-12-23(2)19(25)16-8-3-4-9-17(16)20(26)24-13-5-6-14-24/h11,15-17H,3-10,12-14H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 135116609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).