1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea

C10H21N3O — CID 106995611

IUPAC1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCNC(C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(14)13-9-4-5-11-8(3)6-9/h7-9,11H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyQDROFOGGHDVCGD-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.83
Rot. Bonds2

About 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea

1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea (PubChem CID 106995611) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
PubChem CID106995611
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCNC(C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(14)13-9-4-5-11-8(3)6-9/h7-9,11H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyQDROFOGGHDVCGD-UHFFFAOYSA-N
XLogP0.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120600879
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315
2-cycloheptyloxy-N-(2-methylpiperidin-4-yl)propanamide
CID 120601910
(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
CID 95913690
2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601875
2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597978
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995432
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
N-(2-methylpiperidin-4-yl)thiane-2-carboxamide
CID 106995179
2-cyclohexylsulfonyl-3-methyl-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120599357

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea (CID 106995611) is 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CCNC(C)C1.
What is the InChIKey of 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea?
The InChIKey is QDROFOGGHDVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)12-10(14)13-9-4-5-11-8(3)6-9/h7-9,11H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea?
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea has a molecular weight of 199.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 106995611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).