1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea

C19H30N4O2 — CID 95152061

IUPAC1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2CN(C)C)c1
InChIInChI=1S/C19H30N4O2/c1-14(2)20-19(25)21-16-9-7-8-15(12-16)18(24)23-11-6-5-10-17(23)13-22(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3,(H2,20,21,25)/t17-/m1/s1
InChIKeyIRGPUEMTLVSBDM-QGZVFWFLSA-N
MW346.48 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 95152061) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID95152061
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2CN(C)C)c1
InChIInChI=1S/C19H30N4O2/c1-14(2)20-19(25)21-16-9-7-8-15(12-16)18(24)23-11-6-5-10-17(23)13-22(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3,(H2,20,21,25)/t17-/m1/s1
InChIKeyIRGPUEMTLVSBDM-QGZVFWFLSA-N
XLogP2.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
3-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea
CID 119633495
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
[3-(chloromethyl)phenyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886997
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
1-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55649667
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
[3-(3-aminoprop-1-ynyl)phenyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62889274
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 95152061) is 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2CN(C)C)c1.
What is the InChIKey of 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is IRGPUEMTLVSBDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)20-19(25)21-16-9-7-8-15(12-16)18(24)23-11-6-5-10-17(23)13-22(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3,(H2,20,21,25)/t17-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 346.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-[(dimethylamino)methyl]piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 95152061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).