1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride

C18H29ClN4O2 — CID 120814203

IUPAC1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-12(2)20-17(24)21-14-7-5-13(6-8-14)16(23)22-10-9-15(19)18(3,4)11-22;/h5-8,12,15H,9-11,19H2,1-4H3,(H2,20,21,24);1H
InChIKeyMHWFIWCQLXPHOU-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.84
Rot. Bonds3

About 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride

1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride (PubChem CID 120814203) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
PubChem CID120814203
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-12(2)20-17(24)21-14-7-5-13(6-8-14)16(23)22-10-9-15(19)18(3,4)11-22;/h5-8,12,15H,9-11,19H2,1-4H3,(H2,20,21,24);1H
InChIKeyMHWFIWCQLXPHOU-UHFFFAOYSA-N
XLogP2.84
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120815264
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120746328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride?
The IUPAC name of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride (CID 120814203) is 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride.
What is the SMILES notation for 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride?
The canonical SMILES for 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride is CC(C)NC(=O)Nc1ccc(C(=O)N2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride?
The InChIKey is MHWFIWCQLXPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-12(2)20-17(24)21-14-7-5-13(6-8-14)16(23)22-10-9-15(19)18(3,4)11-22;/h5-8,12,15H,9-11,19H2,1-4H3,(H2,20,21,24);1H.
What are the key properties of 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride?
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride is sourced from PubChem (CID 120814203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).