1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea

C19H22FN7O2 — CID 648781

IUPAC1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C19H22FN7O2/c20-14-3-5-15(6-4-14)21-19(28)22-16-7-9-26(10-8-16)13-18-23-24-25-27(18)12-17-2-1-11-29-17/h1-6,11,16H,7-10,12-13H2,(H2,21,22,28)
InChIKeyDPICCLBQOGNHAX-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea

1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea (PubChem CID 648781) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea
PubChem CID648781
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C19H22FN7O2/c20-14-3-5-15(6-4-14)21-19(28)22-16-7-9-26(10-8-16)13-18-23-24-25-27(18)12-17-2-1-11-29-17/h1-6,11,16H,7-10,12-13H2,(H2,21,22,28)
InChIKeyDPICCLBQOGNHAX-UHFFFAOYSA-N
XLogP2.24
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-{(4-Dimethylamino-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655528
N,N-Diethyl-2-{5-[(4-fluoro-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 1154953
2-{5-[(4-Fluoro-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-1-morpholin-4-yl-ethanone
CID 1154963
2-{5-[(4-Fluoro-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-1-(4-methyl-piperidin-1-yl)-ethanone
CID 3181186
6-ethoxy-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 3195639
N-tert-Butyl-2-((2-ethoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-1-yl]-acetyl}-amino)-butyramide
CID 646053
2-{5-[(4-Fluoro-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-1-pyrrolidin-1-yl-ethanone
CID 648107
3-{[[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-(2-morpholin-4-yl-ethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 649050
N-Cyclopropyl-2-{5-[(4-fluoro-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 652337
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 1158965
6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 3195869
4-{3-[8-(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-ureido}-benzoic acid ethyl ester
CID 3220719

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea (CID 648781) is 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea is O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccco2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea?
The InChIKey is DPICCLBQOGNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c20-14-3-5-15(6-4-14)21-19(28)22-16-7-9-26(10-8-16)13-18-23-24-25-27(18)12-17-2-1-11-29-17/h1-6,11,16H,7-10,12-13H2,(H2,21,22,28).
What are the key properties of 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea?
1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea has a molecular weight of 399.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).