1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C19H25N5O3 — CID 155872962

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2ccn(C)n2)CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H25N5O3/c1-20-18(25)19(21-17-5-8-23(2)22-17)6-9-24(10-7-19)12-14-3-4-15-16(11-14)27-13-26-15/h3-5,8,11H,6-7,9-10,12-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyDGYIKDSMFWFYTP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.34
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155872962) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155872962
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2ccn(C)n2)CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H25N5O3/c1-20-18(25)19(21-17-5-8-23(2)22-17)6-9-24(10-7-19)12-14-3-4-15-16(11-14)27-13-26-15/h3-5,8,11H,6-7,9-10,12-13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyDGYIKDSMFWFYTP-UHFFFAOYSA-N
XLogP1.34
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8531278
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 2738509
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2571773
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 17221250
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988489
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110768964
N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 31629348
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94036108
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 53498065

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155872962) is 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is CNC(=O)C1(Nc2ccn(C)n2)CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is DGYIKDSMFWFYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-20-18(25)19(21-17-5-8-23(2)22-17)6-9-24(10-7-19)12-14-3-4-15-16(11-14)27-13-26-15/h3-5,8,11H,6-7,9-10,12-13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155872962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).