1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea

C21H34N4O2 — CID 166236575

IUPAC1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea
SMILESCC1C(NC(=O)NC2CCCN(CCCO)C2)CCN1Cc1ccccc1
InChIInChI=1S/C21H34N4O2/c1-17-20(10-13-25(17)15-18-7-3-2-4-8-18)23-21(27)22-19-9-5-11-24(16-19)12-6-14-26/h2-4,7-8,17,19-20,26H,5-6,9-16H2,1H3,(H2,22,23,27)
InChIKeyQKAPEZHZECTERC-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.80
Rot. Bonds7

About 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea

1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea (PubChem CID 166236575) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea
PubChem CID166236575
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea
SMILESCC1C(NC(=O)NC2CCCN(CCCO)C2)CCN1Cc1ccccc1
InChIInChI=1S/C21H34N4O2/c1-17-20(10-13-25(17)15-18-7-3-2-4-8-18)23-21(27)22-19-9-5-11-24(16-19)12-6-14-26/h2-4,7-8,17,19-20,26H,5-6,9-16H2,1H3,(H2,22,23,27)
InChIKeyQKAPEZHZECTERC-UHFFFAOYSA-N
XLogP1.80
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
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N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea?
The IUPAC name of 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea (CID 166236575) is 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea?
The canonical SMILES for 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea is CC1C(NC(=O)NC2CCCN(CCCO)C2)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea?
The InChIKey is QKAPEZHZECTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17-20(10-13-25(17)15-18-7-3-2-4-8-18)23-21(27)22-19-9-5-11-24(16-19)12-6-14-26/h2-4,7-8,17,19-20,26H,5-6,9-16H2,1H3,(H2,22,23,27).
What are the key properties of 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea?
1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea has a molecular weight of 374.53 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea is sourced from PubChem (CID 166236575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).