3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride

C18H27ClN6O — CID 120600412

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C(C)C)n2nnc(-c3ccccc3)n2)CCN1.Cl
InChIInChI=1S/C18H26N6O.ClH/c1-12(2)16(18(25)20-15-9-10-19-13(3)11-15)24-22-17(21-23-24)14-7-5-4-6-8-14;/h4-8,12-13,15-16,19H,9-11H2,1-3H3,(H,20,25);1H
InChIKeyKEBNNQBPAFJOFJ-UHFFFAOYSA-N
MW378.91 g/mol
LogP2.22
Rot. Bonds5

About 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride

3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride (PubChem CID 120600412) has the molecular formula C18H27ClN6O and a molecular weight of 378.91 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
PubChem CID120600412
Molecular FormulaC18H27ClN6O
Molecular Weight378.91 g/mol
Exact Mass378.19
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C(C)C)n2nnc(-c3ccccc3)n2)CCN1.Cl
InChIInChI=1S/C18H26N6O.ClH/c1-12(2)16(18(25)20-15-9-10-19-13(3)11-15)24-22-17(21-23-24)14-7-5-4-6-8-14;/h4-8,12-13,15-16,19H,9-11H2,1-3H3,(H,20,25);1H
InChIKeyKEBNNQBPAFJOFJ-UHFFFAOYSA-N
XLogP2.22
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 120602010
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122119830
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride (CID 120600412) is 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride is CC1CC(NC(=O)C(C(C)C)n2nnc(-c3ccccc3)n2)CCN1.Cl.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride?
The InChIKey is KEBNNQBPAFJOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O.ClH/c1-12(2)16(18(25)20-15-9-10-19-13(3)11-15)24-22-17(21-23-24)14-7-5-4-6-8-14;/h4-8,12-13,15-16,19H,9-11H2,1-3H3,(H,20,25);1H.
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride?
3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride has a molecular weight of 378.91 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 120600412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).