N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide

C12H20N6O2 — CID 70733307

IUPACN-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCCC(=O)N1CCCCC(NC(=O)Cn2cnnn2)C1
InChIInChI=1S/C12H20N6O2/c1-2-12(20)17-6-4-3-5-10(7-17)14-11(19)8-18-9-13-15-16-18/h9-10H,2-8H2,1H3,(H,14,19)
InChIKeyQNFZPRWAJGCIRP-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.42
Rot. Bonds4

About N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide

N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 70733307) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID70733307
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCCC(=O)N1CCCCC(NC(=O)Cn2cnnn2)C1
InChIInChI=1S/C12H20N6O2/c1-2-12(20)17-6-4-3-5-10(7-17)14-11(19)8-18-9-13-15-16-18/h9-10H,2-8H2,1H3,(H,14,19)
InChIKeyQNFZPRWAJGCIRP-UHFFFAOYSA-N
XLogP-0.42
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 128981229
2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 94151419
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 134029552
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
N-[1-(piperidine-1-carbonyl)piperidin-4-yl]-3-(tetrazol-1-yl)propanamide
CID 90647603
1-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 82760433
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198

Frequently Asked Questions

What is the IUPAC name of N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide (CID 70733307) is N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide is CCC(=O)N1CCCCC(NC(=O)Cn2cnnn2)C1.
What is the InChIKey of N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is QNFZPRWAJGCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-2-12(20)17-6-4-3-5-10(7-17)14-11(19)8-18-9-13-15-16-18/h9-10H,2-8H2,1H3,(H,14,19).
What are the key properties of N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide?
N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 70733307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).