1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

C21H36N4O2 — CID 55769977

IUPAC1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESO=C(NCCCNC1CCCCC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H36N4O2/c26-21(23-13-8-12-22-18-9-3-1-4-10-18)24-17-19(20-11-7-16-27-20)25-14-5-2-6-15-25/h7,11,16,18-19,22H,1-6,8-10,12-15,17H2,(H2,23,24,26)
InChIKeyWJLVNJJPGVDUSR-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.42
Rot. Bonds9

About 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (PubChem CID 55769977) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
PubChem CID55769977
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESO=C(NCCCNC1CCCCC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H36N4O2/c26-21(23-13-8-12-22-18-9-3-1-4-10-18)24-17-19(20-11-7-16-27-20)25-14-5-2-6-15-25/h7,11,16,18-19,22H,1-6,8-10,12-15,17H2,(H2,23,24,26)
InChIKeyWJLVNJJPGVDUSR-UHFFFAOYSA-N
XLogP3.42
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55738952
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94172073
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94017525
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94154068
1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94154069
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 94017524
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95130212
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94017504
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (CID 55769977) is 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is O=C(NCCCNC1CCCCC1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The InChIKey is WJLVNJJPGVDUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c26-21(23-13-8-12-22-18-9-3-1-4-10-18)24-17-19(20-11-7-16-27-20)25-14-5-2-6-15-25/h7,11,16,18-19,22H,1-6,8-10,12-15,17H2,(H2,23,24,26).
What are the key properties of 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea has a molecular weight of 376.55 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 55769977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).