N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

C20H29N7O2 — CID 45174100

IUPACN-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCOCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N7O2/c28-20(16-27-19(22-23-24-27)15-25-9-11-29-12-10-25)21-18-7-4-8-26(14-18)13-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,21,28)
InChIKeyLNHQQFZERVHWEU-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.29
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 45174100) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID45174100
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCOCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N7O2/c28-20(16-27-19(22-23-24-27)15-25-9-11-29-12-10-25)21-18-7-4-8-26(14-18)13-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,21,28)
InChIKeyLNHQQFZERVHWEU-UHFFFAOYSA-N
XLogP0.29
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 26412938
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 72844031
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86945147
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (CID 45174100) is N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is O=C(Cn1nnnc1CN1CCOCC1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is LNHQQFZERVHWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c28-20(16-27-19(22-23-24-27)15-25-9-11-29-12-10-25)21-18-7-4-8-26(14-18)13-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,21,28).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 45174100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).