N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

C17H31N7O — CID 45184219

IUPACN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)CC2CCCN2C)CC1
InChIInChI=1S/C17H31N7O/c1-14-6-9-23(10-7-14)12-16-18-19-20-24(16)13-17(25)22(3)11-15-5-4-8-21(15)2/h14-15H,4-13H2,1-3H3
InChIKeyXPRDAQOEALUFGE-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.46
Rot. Bonds6

About N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide

N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 45184219) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
PubChem CID45184219
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)CC2CCCN2C)CC1
InChIInChI=1S/C17H31N7O/c1-14-6-9-23(10-7-14)12-16-18-19-20-24(16)13-17(25)22(3)11-15-5-4-8-21(15)2/h14-15H,4-13H2,1-3H3
InChIKeyXPRDAQOEALUFGE-UHFFFAOYSA-N
XLogP0.46
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53608707
2-(4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanoyl)octahydropyrrolo[1,2-a]pyrazine
CID 45228091
2-(5-cyclopentyltetrazol-1-yl)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 99814343
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 164634224
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-methyl-N-[(1-methyl-2-pyrrolidinyl)methyl]acetamide
CID 45192803
2-(5-Methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 146127005
2-(5-Methyltetrazol-1-yl)-1-piperidin-1-ylethanone
CID 821927
1-cyclopentyl-4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-2-piperazinone
CID 25310511
1-cyclohexyl-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 25379691
N-[2-(diethylamino)ethyl]-N-methyl-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 26394252
N-(cyclopropylmethyl)-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 26409204
(3S)-1,3-dimethyl-4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-2-piperazinone
CID 42193750

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide (CID 45184219) is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is CC1CCN(Cc2nnnn2CC(=O)N(C)CC2CCCN2C)CC1.
What is the InChIKey of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is XPRDAQOEALUFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-14-6-9-23(10-7-14)12-16-18-19-20-24(16)13-17(25)22(3)11-15-5-4-8-21(15)2/h14-15H,4-13H2,1-3H3.
What are the key properties of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide?
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 45184219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).