1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

C19H26N4O3 — CID 47040367

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCCCOCc1ccco1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H26N4O3/c24-19(20-9-5-12-25-15-17-6-4-13-26-17)22-16-7-8-18(21-14-16)23-10-2-1-3-11-23/h4,6-8,13-14H,1-3,5,9-12,15H2,(H2,20,22,24)
InChIKeyDUGBXNNTTQDHMQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.39
Rot. Bonds8

About 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (PubChem CID 47040367) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
PubChem CID47040367
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCCCOCc1ccco1)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H26N4O3/c24-19(20-9-5-12-25-15-17-6-4-13-26-17)22-16-7-8-18(21-14-16)23-10-2-1-3-11-23/h4,6-8,13-14H,1-3,5,9-12,15H2,(H2,20,22,24)
InChIKeyDUGBXNNTTQDHMQ-UHFFFAOYSA-N
XLogP3.39
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
1-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857815
N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 46053995
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
N-[3-(furan-2-ylmethoxy)propyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 86921331
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111768409
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 100836192
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-[3-(1,3-dithian-2-yl)phenyl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 55699175
1-(4-chloro-3-nitrophenyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 51115154

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (CID 47040367) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is O=C(NCCCOCc1ccco1)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The InChIKey is DUGBXNNTTQDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-19(20-9-5-12-25-15-17-6-4-13-26-17)22-16-7-8-18(21-14-16)23-10-2-1-3-11-23/h4,6-8,13-14H,1-3,5,9-12,15H2,(H2,20,22,24).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea has a molecular weight of 358.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47040367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).