N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide

C20H29N7O — CID 28733201

IUPACN-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCN1CCC(N2CCC[C@H](NC(=O)c3ccc(Cn4cnnn4)cc3)C2)CC1
InChIInChI=1S/C20H29N7O/c1-25-11-8-19(9-12-25)26-10-2-3-18(14-26)22-20(28)17-6-4-16(5-7-17)13-27-15-21-23-24-27/h4-7,15,18-19H,2-3,8-14H2,1H3,(H,22,28)/t18-/m0/s1
InChIKeyOIFCVIXUMZUBJS-SFHVURJKSA-N
MW383.50 g/mol
LogP1.01
Rot. Bonds5

About N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 28733201) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID28733201
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCN1CCC(N2CCC[C@H](NC(=O)c3ccc(Cn4cnnn4)cc3)C2)CC1
InChIInChI=1S/C20H29N7O/c1-25-11-8-19(9-12-25)26-10-2-3-18(14-26)22-20(28)17-6-4-16(5-7-17)13-27-15-21-23-24-27/h4-7,15,18-19H,2-3,8-14H2,1H3,(H,22,28)/t18-/m0/s1
InChIKeyOIFCVIXUMZUBJS-SFHVURJKSA-N
XLogP1.01
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R)-1-cycloheptylpiperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42189803
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 91637708
4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 118711000
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 171357990
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)benzamide
CID 129490785
N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626128
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74248587
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide (CID 28733201) is N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide is CN1CCC(N2CCC[C@H](NC(=O)c3ccc(Cn4cnnn4)cc3)C2)CC1.
What is the InChIKey of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is OIFCVIXUMZUBJS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25-11-8-19(9-12-25)26-10-2-3-18(14-26)22-20(28)17-6-4-16(5-7-17)13-27-15-21-23-24-27/h4-7,15,18-19H,2-3,8-14H2,1H3,(H,22,28)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 383.50 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 28733201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).