1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea

C19H27N5O — CID 72935999

IUPAC1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-23-18(8-12-21-23)22-19(25)20-11-7-16-9-13-24(14-10-16)15-17-5-3-2-4-6-17/h2-6,8,12,16H,7,9-11,13-15H2,1H3,(H2,20,22,25)
InChIKeyLXXGJDWMOAPLIA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea

1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea (PubChem CID 72935999) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
PubChem CID72935999
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-23-18(8-12-21-23)22-19(25)20-11-7-16-9-13-24(14-10-16)15-17-5-3-2-4-6-17/h2-6,8,12,16H,7,9-11,13-15H2,1H3,(H2,20,22,25)
InChIKeyLXXGJDWMOAPLIA-UHFFFAOYSA-N
XLogP2.84
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
CID 108813846
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
CID 99839457
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-4-ylthiourea
CID 10066740
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;but-2-enedioic acid
CID 67703873
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
(3R,6S)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165420728
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea (CID 72935999) is 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is LXXGJDWMOAPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-18(8-12-21-23)22-19(25)20-11-7-16-9-13-24(14-10-16)15-17-5-3-2-4-6-17/h2-6,8,12,16H,7,9-11,13-15H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 341.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 72935999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).