N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide

C21H33N7O2 — CID 42357318

IUPACN-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)Cn2cnnn2)C1
InChIInChI=1S/C21H33N7O2/c1-25(2)11-12-27(21(29)16-28-17-22-23-24-28)14-18-7-6-10-26(13-18)15-19-8-4-5-9-20(19)30-3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3/t18-/m0/s1
InChIKeyBEUYTIOLWAEOLA-SFHVURJKSA-N
MW415.54 g/mol
LogP0.98
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide

N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 42357318) has the molecular formula C21H33N7O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID42357318
Molecular FormulaC21H33N7O2
Molecular Weight415.54 g/mol
Exact Mass415.27
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)Cn2cnnn2)C1
InChIInChI=1S/C21H33N7O2/c1-25(2)11-12-27(21(29)16-28-17-22-23-24-28)14-18-7-6-10-26(13-18)15-19-8-4-5-9-20(19)30-3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3/t18-/m0/s1
InChIKeyBEUYTIOLWAEOLA-SFHVURJKSA-N
XLogP0.98
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25306733
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-4-methylbenzamide
CID 23723838
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 45197606
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42393604
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 25283890
2-(2,6-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 42593150
methyl 5-[2-(dimethylamino)ethyl-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]amino]-5-oxopentanoate
CID 25478516
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]pent-4-enamide
CID 45225577
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-methoxy-4-methylbenzamide
CID 42380736

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 42357318) is N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide is COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)Cn2cnnn2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is BEUYTIOLWAEOLA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N7O2/c1-25(2)11-12-27(21(29)16-28-17-22-23-24-28)14-18-7-6-10-26(13-18)15-19-8-4-5-9-20(19)30-3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 0.98, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 42357318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).