N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide

C14H19N3O2S — CID 71980194

IUPACN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1CCN(CC#N)CC1
InChIInChI=1S/C14H19N3O2S/c1-19-12-4-9-20-13(12)14(18)16-10-11-2-6-17(7-3-11)8-5-15/h4,9,11H,2-3,6-8,10H2,1H3,(H,16,18)
InChIKeyBLRGBBXVUUGZEC-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.72
Rot. Bonds5

About N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide

N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide (PubChem CID 71980194) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide
PubChem CID71980194
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC1CCN(CC#N)CC1
InChIInChI=1S/C14H19N3O2S/c1-19-12-4-9-20-13(12)14(18)16-10-11-2-6-17(7-3-11)8-5-15/h4,9,11H,2-3,6-8,10H2,1H3,(H,16,18)
InChIKeyBLRGBBXVUUGZEC-UHFFFAOYSA-N
XLogP1.72
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97064441
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 71980198
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide (CID 71980194) is N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC1CCN(CC#N)CC1.
What is the InChIKey of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is BLRGBBXVUUGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-12-4-9-20-13(12)14(18)16-10-11-2-6-17(7-3-11)8-5-15/h4,9,11H,2-3,6-8,10H2,1H3,(H,16,18).
What are the key properties of N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide?
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 71980194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).