1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea

C18H27N7O3 — CID 652506

IUPAC1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOCCn1nnnc1CN1CCC(NC(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C18H27N7O3/c1-27-11-10-25-17(21-22-23-25)13-24-8-6-14(7-9-24)19-18(26)20-15-4-3-5-16(12-15)28-2/h3-5,12,14H,6-11,13H2,1-2H3,(H2,19,20,26)
InChIKeyVBSQZIQEGZOEKO-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.11
Rot. Bonds8

About 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea

1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea (PubChem CID 652506) has the molecular formula C18H27N7O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea
PubChem CID652506
Molecular FormulaC18H27N7O3
Molecular Weight389.46 g/mol
Exact Mass389.22
IUPAC Name1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea
SMILESCOCCn1nnnc1CN1CCC(NC(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C18H27N7O3/c1-27-11-10-25-17(21-22-23-25)13-24-8-6-14(7-9-24)19-18(26)20-15-4-3-5-16(12-15)28-2/h3-5,12,14H,6-11,13H2,1-2H3,(H2,19,20,26)
InChIKeyVBSQZIQEGZOEKO-UHFFFAOYSA-N
XLogP1.11
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(3-morpholin-4-yl-propyl)-amino]-methyl}-7-methoxy-1H-quinolin-2-one
CID 656188
N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 1455276
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(3-methoxy-phenyl)-urea
CID 645133
3-{[(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-(3-morpholin-4-yl-propyl)-amino]-methyl}-7-methoxy-1H-quinolin-2-one
CID 648737
N-(3-Methoxy-phenyl)-2-(4-methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1088676
1-[(1-Cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 3208561
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-(3-methoxy-phenyl)-piperazine
CID 6602645
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-4-(3-methoxy-phenyl)-piperazine
CID 6602652
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-butyl}-4-(3-methoxy-phenyl)-piperazine
CID 6603451
1-[1-(1-Cyclopentyl-1,2,3,4-tetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine hydrochloride
CID 16189608
3-(3-methoxyphenyl)-1-phenyl-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
CID 3974066
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 45832005

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea (CID 652506) is 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea is COCCn1nnnc1CN1CCC(NC(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is VBSQZIQEGZOEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O3/c1-27-11-10-25-17(21-22-23-25)13-24-8-6-14(7-9-24)19-18(26)20-15-4-3-5-16(12-15)28-2/h3-5,12,14H,6-11,13H2,1-2H3,(H2,19,20,26).
What are the key properties of 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea?
1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 389.46 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 652506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).