1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride

C18H29ClN4O2 — CID 119491018

IUPAC1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-13(2)21-18(24)20-11-14-6-8-15(9-7-14)17(23)22-10-4-5-16(12-22)19-3;/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H2,20,21,24);1H
InChIKeyOLBHMGWVRHUQCV-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.14
Rot. Bonds5

About 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride

1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride (PubChem CID 119491018) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride.

Molecular Properties

Compound Name1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
PubChem CID119491018
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-13(2)21-18(24)20-11-14-6-8-15(9-7-14)17(23)22-10-4-5-16(12-22)19-3;/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H2,20,21,24);1H
InChIKeyOLBHMGWVRHUQCV-UHFFFAOYSA-N
XLogP2.14
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride with MolForge

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Related Compounds

[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
1-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120815264
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 124691388
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914867
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
N-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119493599

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride?
The IUPAC name of 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride (CID 119491018) is 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride.
What is the SMILES notation for 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride?
The canonical SMILES for 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride is CNC1CCCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)C1.Cl.
What is the InChIKey of 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride?
The InChIKey is OLBHMGWVRHUQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-13(2)21-18(24)20-11-14-6-8-15(9-7-14)17(23)22-10-4-5-16(12-22)19-3;/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H2,20,21,24);1H.
What are the key properties of 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride?
1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride is sourced from PubChem (CID 119491018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).