[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H26N6O2 — CID 70773204

IUPAC[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nnnn1Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H26N6O2/c1-15-21-22-23-26(15)14-16-4-6-17(7-5-16)19(27)25-12-8-18(9-13-25)20(28)24-10-2-3-11-24/h4-7,18H,2-3,8-14H2,1H3
InChIKeyLJQRXYRVGIFEPE-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.50
Rot. Bonds4

About [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 70773204) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID70773204
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nnnn1Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H26N6O2/c1-15-21-22-23-26(15)14-16-4-6-17(7-5-16)19(27)25-12-8-18(9-13-25)20(28)24-10-2-3-11-24/h4-7,18H,2-3,8-14H2,1H3
InChIKeyLJQRXYRVGIFEPE-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone
CID 138382124
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 48981094
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 70773204) is [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nnnn1Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LJQRXYRVGIFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-21-22-23-26(15)14-16-4-6-17(7-5-16)19(27)25-12-8-18(9-13-25)20(28)24-10-2-3-11-24/h4-7,18H,2-3,8-14H2,1H3.
What are the key properties of [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70773204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).