N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide

C24H28N6O3 — CID 170563741

IUPACN-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)Nc2ccc(-c3ccc4c(c3)OCO4)c(-c3nn[nH]n3)c2)CC1
InChIInChI=1S/C24H28N6O3/c1-24(2,3)16-8-10-30(11-9-16)23(31)25-17-5-6-18(19(13-17)22-26-28-29-27-22)15-4-7-20-21(12-15)33-14-32-20/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,25,31)(H,26,27,28,29)
InChIKeyMZJHSFIYKJBNOY-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.55
Rot. Bonds3

About N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide

N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide (PubChem CID 170563741) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide
PubChem CID170563741
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)Nc2ccc(-c3ccc4c(c3)OCO4)c(-c3nn[nH]n3)c2)CC1
InChIInChI=1S/C24H28N6O3/c1-24(2,3)16-8-10-30(11-9-16)23(31)25-17-5-6-18(19(13-17)22-26-28-29-27-22)15-4-7-20-21(12-15)33-14-32-20/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,25,31)(H,26,27,28,29)
InChIKeyMZJHSFIYKJBNOY-UHFFFAOYSA-N
XLogP4.55
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170434075
4-tert-butyl-N-[4-(3,4-dihydro-2H-pyran-4-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170433983
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(1,3-benzodioxol-5-yl)-4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 46991994
N-(1,3-benzodioxol-5-yl)-4-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 90493851
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
4-[[4-(aminomethyl)triazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 31004466
N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769336
N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800885

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide (CID 170563741) is N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide is CC(C)(C)C1CCN(C(=O)Nc2ccc(-c3ccc4c(c3)OCO4)c(-c3nn[nH]n3)c2)CC1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide?
The InChIKey is MZJHSFIYKJBNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-24(2,3)16-8-10-30(11-9-16)23(31)25-17-5-6-18(19(13-17)22-26-28-29-27-22)15-4-7-20-21(12-15)33-14-32-20/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,25,31)(H,26,27,28,29).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide?
N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]-4-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 170563741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).