1,1-diethyl-3-(4-methylpiperidin-4-yl)urea

C11H23N3O — CID 114696676

IUPAC1,1-diethyl-3-(4-methylpiperidin-4-yl)urea
SMILESCCN(CC)C(=O)NC1(C)CCNCC1
InChIInChI=1S/C11H23N3O/c1-4-14(5-2)10(15)13-11(3)6-8-12-9-7-11/h12H,4-9H2,1-3H3,(H,13,15)
InChIKeyVDMRTUIEXGKVKV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds3

About 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea

1,1-diethyl-3-(4-methylpiperidin-4-yl)urea (PubChem CID 114696676) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(4-methylpiperidin-4-yl)urea
PubChem CID114696676
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,1-diethyl-3-(4-methylpiperidin-4-yl)urea
SMILESCCN(CC)C(=O)NC1(C)CCNCC1
InChIInChI=1S/C11H23N3O/c1-4-14(5-2)10(15)13-11(3)6-8-12-9-7-11/h12H,4-9H2,1-3H3,(H,13,15)
InChIKeyVDMRTUIEXGKVKV-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
3-methyl-N-(4-methylpiperidin-4-yl)pentanamide
CID 114875717
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
N'-(4-methylpiperidin-4-yl)propanediamide;hydrochloride
CID 130747775
N-(4-methylpiperidin-4-yl)-2-methylsulfonylacetamide
CID 114696301
3-(1-carbamothioylcyclooctyl)-1,1-diethylurea
CID 79162159
N-ethyl-4-methyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 63121302
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295
2-[(1-methylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 64686451
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carboxamide
CID 79378279
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63121817

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea?
The IUPAC name of 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea (CID 114696676) is 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea is CCN(CC)C(=O)NC1(C)CCNCC1.
What is the InChIKey of 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea?
The InChIKey is VDMRTUIEXGKVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-14(5-2)10(15)13-11(3)6-8-12-9-7-11/h12H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea?
1,1-diethyl-3-(4-methylpiperidin-4-yl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(4-methylpiperidin-4-yl)urea is sourced from PubChem (CID 114696676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).