N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride

C20H30ClN3O2 — CID 119541694

IUPACN-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-21-13-15-10-11-23(14-15)20(25)17-8-5-9-18(12-17)22-19(24)16-6-3-2-4-7-16;/h5,8-9,12,15-16,21H,2-4,6-7,10-11,13-14H2,1H3,(H,22,24);1H
InChIKeyZVPYVUKPSAHYOS-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.31
Rot. Bonds5

About N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride

N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119541694) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
PubChem CID119541694
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-21-13-15-10-11-23(14-15)20(25)17-8-5-9-18(12-17)22-19(24)16-6-3-2-4-7-16;/h5,8-9,12,15-16,21H,2-4,6-7,10-11,13-14H2,1H3,(H,22,24);1H
InChIKeyZVPYVUKPSAHYOS-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
N-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120995374
1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119545663
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
(3-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540886
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride (CID 119541694) is N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride is CNCC1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1.Cl.
What is the InChIKey of N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is ZVPYVUKPSAHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-21-13-15-10-11-23(14-15)20(25)17-8-5-9-18(12-17)22-19(24)16-6-3-2-4-7-16;/h5,8-9,12,15-16,21H,2-4,6-7,10-11,13-14H2,1H3,(H,22,24);1H.
What are the key properties of N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride?
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119541694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).