1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

C14H29N3O — CID 60577973

IUPAC1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCCN(CC)C(=O)NC(C)CN1CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-17(6-2)14(18)15-13(4)11-16-9-7-8-12(3)10-16/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyMZKFMKBYUJULPT-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.16
Rot. Bonds5

About 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (PubChem CID 60577973) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
PubChem CID60577973
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
SMILESCCN(CC)C(=O)NC(C)CN1CCCC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-17(6-2)14(18)15-13(4)11-16-9-7-8-12(3)10-16/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyMZKFMKBYUJULPT-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea
CID 47071760
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110933354
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 111505217
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The IUPAC name of 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea (CID 60577973) is 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is CCN(CC)C(=O)NC(C)CN1CCCC(C)C1.
What is the InChIKey of 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
The InChIKey is MZKFMKBYUJULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-17(6-2)14(18)15-13(4)11-16-9-7-8-12(3)10-16/h12-13H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea?
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea has a molecular weight of 255.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 60577973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).