1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

C18H28N4O3 — CID 95130212

IUPAC1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
SMILESCC(=O)N1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C18H28N4O3/c1-14(23)21-10-6-15(7-11-21)20-18(24)19-13-16(17-5-4-12-25-17)22-8-2-3-9-22/h4-5,12,15-16H,2-3,6-11,13H2,1H3,(H2,19,20,24)/t16-/m1/s1
InChIKeyBKNZKNNOYLGGGL-MRXNPFEDSA-N
MW348.45 g/mol
LogP1.73
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (PubChem CID 95130212) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
PubChem CID95130212
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
SMILESCC(=O)N1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C18H28N4O3/c1-14(23)21-10-6-15(7-11-21)20-18(24)19-13-16(17-5-4-12-25-17)22-8-2-3-9-22/h4-5,12,15-16H,2-3,6-11,13H2,1H3,(H2,19,20,24)/t16-/m1/s1
InChIKeyBKNZKNNOYLGGGL-MRXNPFEDSA-N
XLogP1.73
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentanamide
CID 107569214
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94017504
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (CID 95130212) is 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is CC(=O)N1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is BKNZKNNOYLGGGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(23)21-10-6-15(7-11-21)20-18(24)19-13-16(17-5-4-12-25-17)22-8-2-3-9-22/h4-5,12,15-16H,2-3,6-11,13H2,1H3,(H2,19,20,24)/t16-/m1/s1.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 348.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 95130212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).