1-(piperidin-3-ylmethyl)-3-propan-2-ylurea

C10H21N3O — CID 43208690

IUPAC1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CCCNC1
InChIInChI=1S/C10H21N3O/c1-8(2)13-10(14)12-7-9-4-3-5-11-6-9/h8-9,11H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyLNLLGSGZEVBRBN-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.69
Rot. Bonds3

About 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea

1-(piperidin-3-ylmethyl)-3-propan-2-ylurea (PubChem CID 43208690) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
PubChem CID43208690
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CCCNC1
InChIInChI=1S/C10H21N3O/c1-8(2)13-10(14)12-7-9-4-3-5-11-6-9/h8-9,11H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyLNLLGSGZEVBRBN-UHFFFAOYSA-N
XLogP0.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
1-(piperidin-2-ylmethyl)-3-(piperidin-3-ylmethyl)urea
CID 117235098
3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
CID 119464375
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate
CID 91043993
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea (CID 43208690) is 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC1CCCNC1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea?
The InChIKey is LNLLGSGZEVBRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)13-10(14)12-7-9-4-3-5-11-6-9/h8-9,11H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea?
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea has a molecular weight of 199.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-3-propan-2-ylurea is sourced from PubChem (CID 43208690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).