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

C20H29N7O — CID 45250145

IUPACN-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N7O/c28-20(16-27-19(22-23-24-27)15-25-10-4-5-11-25)21-18-9-6-12-26(14-18)13-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,21,28)
InChIKeyNGAUISJNDPKNOB-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.05
Rot. Bonds7

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

N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 45250145) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID45250145
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H29N7O/c28-20(16-27-19(22-23-24-27)15-25-10-4-5-11-25)21-18-9-6-12-26(14-18)13-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,21,28)
InChIKeyNGAUISJNDPKNOB-UHFFFAOYSA-N
XLogP1.05
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 45250145) is N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is O=C(Cn1nnnc1CN1CCCC1)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is NGAUISJNDPKNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c28-20(16-27-19(22-23-24-27)15-25-10-4-5-11-25)21-18-9-6-12-26(14-18)13-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,21,28).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 45250145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).