N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C19H23N5O3 — CID 75437353

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C19H23N5O3/c25-19(20-9-12-3-6-15-16(8-12)27-11-26-15)24-7-1-2-14(10-24)18-21-17(22-23-18)13-4-5-13/h3,6,8,13-14H,1-2,4-5,7,9-11H2,(H,20,25)(H,21,22,23)
InChIKeyVDTPCTBCIZWRHX-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.50
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 75437353) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID75437353
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C19H23N5O3/c25-19(20-9-12-3-6-15-16(8-12)27-11-26-15)24-7-1-2-14(10-24)18-21-17(22-23-18)13-4-5-13/h3,6,8,13-14H,1-2,4-5,7,9-11H2,(H,20,25)(H,21,22,23)
InChIKeyVDTPCTBCIZWRHX-UHFFFAOYSA-N
XLogP2.50
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 38202881
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
(3R)-1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 51961786
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypiperidine-1-carboxamide
CID 91627929
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 139001025
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 38265207
ethyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-3-carboxylate
CID 23995673
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261615

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 75437353) is N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VDTPCTBCIZWRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-19(20-9-12-3-6-15-16(8-12)27-11-26-15)24-7-1-2-14(10-24)18-21-17(22-23-18)13-4-5-13/h3,6,8,13-14H,1-2,4-5,7,9-11H2,(H,20,25)(H,21,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75437353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).