1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea

C20H26N4O — CID 95632987

IUPAC1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
SMILESC[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c1-16-14-19(10-13-24(16)15-17-6-4-3-5-7-17)23(2)20(25)22-18-8-11-21-12-9-18/h3-9,11-12,16,19H,10,13-15H2,1-2H3,(H,21,22,25)/t16-,19-/m0/s1
InChIKeyUKGHDXPLLDGSOP-LPHOPBHVSA-N
MW338.45 g/mol
LogP3.60
Rot. Bonds4

About 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea

1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea (PubChem CID 95632987) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
PubChem CID95632987
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
SMILESC[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H26N4O/c1-16-14-19(10-13-24(16)15-17-6-4-3-5-7-17)23(2)20(25)22-18-8-11-21-12-9-18/h3-9,11-12,16,19H,10,13-15H2,1-2H3,(H,21,22,25)/t16-,19-/m0/s1
InChIKeyUKGHDXPLLDGSOP-LPHOPBHVSA-N
XLogP3.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 95632992
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 100851810
1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 56794123
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea?
The IUPAC name of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea (CID 95632987) is 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea is C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2)CCN1Cc1ccccc1.
What is the InChIKey of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea?
The InChIKey is UKGHDXPLLDGSOP-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-14-19(10-13-24(16)15-17-6-4-3-5-7-17)23(2)20(25)22-18-8-11-21-12-9-18/h3-9,11-12,16,19H,10,13-15H2,1-2H3,(H,21,22,25)/t16-,19-/m0/s1.
What are the key properties of 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea?
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea has a molecular weight of 338.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea is sourced from PubChem (CID 95632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).