N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide

C20H27F3N6O — CID 42346526

IUPACN-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cnnn1
InChIInChI=1S/C20H27F3N6O/c1-27(19(30)8-12-29-15-24-25-26-29)14-17-6-10-28(11-7-17)9-5-16-3-2-4-18(13-16)20(21,22)23/h2-4,13,15,17H,5-12,14H2,1H3
InChIKeySBOZAWOUFGENNX-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.50
Rot. Bonds8

About N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide

N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide (PubChem CID 42346526) has the molecular formula C20H27F3N6O and a molecular weight of 424.47 g/mol. Its IUPAC name is N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
PubChem CID42346526
Molecular FormulaC20H27F3N6O
Molecular Weight424.47 g/mol
Exact Mass424.22
IUPAC NameN-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cnnn1
InChIInChI=1S/C20H27F3N6O/c1-27(19(30)8-12-29-15-24-25-26-29)14-17-6-10-28(11-7-17)9-5-16-3-2-4-18(13-16)20(21,22)23/h2-4,13,15,17H,5-12,14H2,1H3
InChIKeySBOZAWOUFGENNX-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42342350
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
3-hydroxy-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]propanamide
CID 97281757
2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 29152552
(2S)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97277487
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154899870
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
CID 176930854
N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide (CID 42346526) is N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide is CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cnnn1.
What is the InChIKey of N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is SBOZAWOUFGENNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N6O/c1-27(19(30)8-12-29-15-24-25-26-29)14-17-6-10-28(11-7-17)9-5-16-3-2-4-18(13-16)20(21,22)23/h2-4,13,15,17H,5-12,14H2,1H3.
What are the key properties of N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 424.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(tetrazol-1-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 42346526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).