1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea

C23H30N4O2 — CID 154869112

IUPAC1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea
SMILESCC(=O)N1CCCC(CNC(=O)NC(Cc2ccccc2)Cc2cccnc2)C1
InChIInChI=1S/C23H30N4O2/c1-18(28)27-12-6-10-21(17-27)16-25-23(29)26-22(13-19-7-3-2-4-8-19)14-20-9-5-11-24-15-20/h2-5,7-9,11,15,21-22H,6,10,12-14,16-17H2,1H3,(H2,25,26,29)
InChIKeyMECMNZBJYDYRCL-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.79
Rot. Bonds7

About 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea

1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea (PubChem CID 154869112) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea
PubChem CID154869112
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea
SMILESCC(=O)N1CCCC(CNC(=O)NC(Cc2ccccc2)Cc2cccnc2)C1
InChIInChI=1S/C23H30N4O2/c1-18(28)27-12-6-10-21(17-27)16-25-23(29)26-22(13-19-7-3-2-4-8-19)14-20-9-5-11-24-15-20/h2-5,7-9,11,15,21-22H,6,10,12-14,16-17H2,1H3,(H2,25,26,29)
InChIKeyMECMNZBJYDYRCL-UHFFFAOYSA-N
XLogP2.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea with MolForge

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Related Compounds

4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
1-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95598516
1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 56827109
1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95825281
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
3-methyl-N-[[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131948015
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42961707
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea?
The IUPAC name of 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea (CID 154869112) is 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea?
The canonical SMILES for 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea is CC(=O)N1CCCC(CNC(=O)NC(Cc2ccccc2)Cc2cccnc2)C1.
What is the InChIKey of 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea?
The InChIKey is MECMNZBJYDYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18(28)27-12-6-10-21(17-27)16-25-23(29)26-22(13-19-7-3-2-4-8-19)14-20-9-5-11-24-15-20/h2-5,7-9,11,15,21-22H,6,10,12-14,16-17H2,1H3,(H2,25,26,29).
What are the key properties of 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea?
1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea has a molecular weight of 394.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetylpiperidin-3-yl)methyl]-3-(1-phenyl-3-pyridin-3-ylpropan-2-yl)urea is sourced from PubChem (CID 154869112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).