1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea

C16H32N4O — CID 95681890

IUPAC1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN([C@H](C)CNC(=O)NC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-13-4-10-20(11-5-13)14(2)12-17-16(21)18-15-6-8-19(3)9-7-15/h13-15H,4-12H2,1-3H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyCDFOXHWVGLIUKQ-CQSZACIVSA-N
MW296.46 g/mol
LogP1.50
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea

1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 95681890) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID95681890
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN([C@H](C)CNC(=O)NC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-13-4-10-20(11-5-13)14(2)12-17-16(21)18-15-6-8-19(3)9-7-15/h13-15H,4-12H2,1-3H3,(H2,17,18,21)/t14-/m1/s1
InChIKeyCDFOXHWVGLIUKQ-CQSZACIVSA-N
XLogP1.50
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
1-(4-hydroxy-2-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111505364
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95932504
methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
CID 95154757

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea (CID 95681890) is 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN([C@H](C)CNC(=O)NC2CCN(C)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is CDFOXHWVGLIUKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13-4-10-20(11-5-13)14(2)12-17-16(21)18-15-6-8-19(3)9-7-15/h13-15H,4-12H2,1-3H3,(H2,17,18,21)/t14-/m1/s1.
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 296.46 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 95681890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).