1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride

C17H27ClN4O2 — CID 119545663

IUPAC1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-18-12-13-7-9-21(10-8-13)16(22)14-5-4-6-15(11-14)19-17(23)20(2)3;/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,19,23);1H
InChIKeyJOALXFWVNDKLLV-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.27
Rot. Bonds4

About 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride

1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride (PubChem CID 119545663) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
PubChem CID119545663
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride
SMILESCNCC1CCN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-18-12-13-7-9-21(10-8-13)16(22)14-5-4-6-15(11-14)19-17(23)20(2)3;/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,19,23);1H
InChIKeyJOALXFWVNDKLLV-UHFFFAOYSA-N
XLogP2.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119541694
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119544153
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
CID 119633495
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride?
The IUPAC name of 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride (CID 119545663) is 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride.
What is the SMILES notation for 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride?
The canonical SMILES for 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride is CNCC1CCN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC1.Cl.
What is the InChIKey of 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride?
The InChIKey is JOALXFWVNDKLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-18-12-13-7-9-21(10-8-13)16(22)14-5-4-6-15(11-14)19-17(23)20(2)3;/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,19,23);1H.
What are the key properties of 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride?
1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]urea;hydrochloride is sourced from PubChem (CID 119545663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).