[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea

C20H30N4O2 — CID 119621791

IUPAC[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccccc1C(CC(=O)N1CCC(NCC2CC2)CC1)NC(N)=O
InChIInChI=1S/C20H30N4O2/c1-14-4-2-3-5-17(14)18(23-20(21)26)12-19(25)24-10-8-16(9-11-24)22-13-15-6-7-15/h2-5,15-16,18,22H,6-13H2,1H3,(H3,21,23,26)
InChIKeyDOOQSGPWIUPZGE-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.09
Rot. Bonds7

About [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea

[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea (PubChem CID 119621791) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
PubChem CID119621791
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccccc1C(CC(=O)N1CCC(NCC2CC2)CC1)NC(N)=O
InChIInChI=1S/C20H30N4O2/c1-14-4-2-3-5-17(14)18(23-20(21)26)12-19(25)24-10-8-16(9-11-24)22-13-15-6-7-15/h2-5,15-16,18,22H,6-13H2,1H3,(H3,21,23,26)
InChIKeyDOOQSGPWIUPZGE-UHFFFAOYSA-N
XLogP2.09
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea (CID 119621791) is [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea is Cc1ccccc1C(CC(=O)N1CCC(NCC2CC2)CC1)NC(N)=O.
What is the InChIKey of [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
The InChIKey is DOOQSGPWIUPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-4-2-3-5-17(14)18(23-20(21)26)12-19(25)24-10-8-16(9-11-24)22-13-15-6-7-15/h2-5,15-16,18,22H,6-13H2,1H3,(H3,21,23,26).
What are the key properties of [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea has a molecular weight of 358.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 119621791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).