N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide

C16H22N6O — CID 119532441

IUPACN-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCNC1
InChIInChI=1S/C16H22N6O/c1-2-9-21(15-7-8-17-11-15)16(23)10-13-3-5-14(6-4-13)22-12-18-19-20-22/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyJNLDGAPYEBGPOQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.81
Rot. Bonds6

About N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 119532441) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID119532441
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCNC1
InChIInChI=1S/C16H22N6O/c1-2-9-21(15-7-8-17-11-15)16(23)10-13-3-5-14(6-4-13)22-12-18-19-20-22/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyJNLDGAPYEBGPOQ-UHFFFAOYSA-N
XLogP0.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 120555808
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 126768569
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97027734
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
2-(6-methyl-3-pyridinyl)-N-piperidin-4-yl-N-propylacetamide
CID 119825418
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 119532441) is N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is JNLDGAPYEBGPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-9-21(15-7-8-17-11-15)16(23)10-13-3-5-14(6-4-13)22-12-18-19-20-22/h3-6,12,15,17H,2,7-11H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 119532441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).