1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea

C21H26N4O3 — CID 134347520

IUPAC1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCOc1ccc(C2CCN(C(C)=O)CC2NC(=O)Nc2ccc(C)nc2)cc1
InChIInChI=1S/C21H26N4O3/c1-14-4-7-17(12-22-14)23-21(27)24-20-13-25(15(2)26)11-10-19(20)16-5-8-18(28-3)9-6-16/h4-9,12,19-20H,10-11,13H2,1-3H3,(H2,23,24,27)
InChIKeyPKLPJQBOANVQKA-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.92
Rot. Bonds4

About 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea

1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 134347520) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID134347520
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCOc1ccc(C2CCN(C(C)=O)CC2NC(=O)Nc2ccc(C)nc2)cc1
InChIInChI=1S/C21H26N4O3/c1-14-4-7-17(12-22-14)23-21(27)24-20-13-25(15(2)26)11-10-19(20)16-5-8-18(28-3)9-6-16/h4-9,12,19-20H,10-11,13H2,1-3H3,(H2,23,24,27)
InChIKeyPKLPJQBOANVQKA-UHFFFAOYSA-N
XLogP2.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347535
1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
CID 150128851
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
2-[(3S,4R)-3-[(4-fluorophenyl)carbamoylamino]-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 138525291
tert-butyl 4-[(4-bromophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139466484
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 10000211
1-[(3S)-1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)propan-2-one;1-[(3S,4S)-3-amino-4-(4-methoxyphenyl)piperidin-1-yl]ethanone;5-isocyanato-2-methylpyridine;hydrochloride
CID 160720234
1-(4-chlorophenyl)-3-[(3S)-1-(cyclopropylmethyl)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361553
tert-butyl 2-[(3S)-1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]acetate
CID 161142498
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841

Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea (CID 134347520) is 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea is COc1ccc(C2CCN(C(C)=O)CC2NC(=O)Nc2ccc(C)nc2)cc1.
What is the InChIKey of 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is PKLPJQBOANVQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-4-7-17(12-22-14)23-21(27)24-20-13-25(15(2)26)11-10-19(20)16-5-8-18(28-3)9-6-16/h4-9,12,19-20H,10-11,13H2,1-3H3,(H2,23,24,27).
What are the key properties of 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 382.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 134347520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).