N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide

C15H22N4OS — CID 61205508

IUPACN-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCNCC1CCCN(CCC(=O)Nc2sccc2C#N)C1
InChIInChI=1S/C15H22N4OS/c1-17-10-12-3-2-6-19(11-12)7-4-14(20)18-15-13(9-16)5-8-21-15/h5,8,12,17H,2-4,6-7,10-11H2,1H3,(H,18,20)
InChIKeyPAQKZNJPOUYZSA-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.88
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide (PubChem CID 61205508) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
PubChem CID61205508
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCNCC1CCCN(CCC(=O)Nc2sccc2C#N)C1
InChIInChI=1S/C15H22N4OS/c1-17-10-12-3-2-6-19(11-12)7-4-14(20)18-15-13(9-16)5-8-21-15/h5,8,12,17H,2-4,6-7,10-11H2,1H3,(H,18,20)
InChIKeyPAQKZNJPOUYZSA-UHFFFAOYSA-N
XLogP1.88
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
3-(4-amino-3-methylpiperidin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 79867752
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
N-(3-cyanothiophen-2-yl)-3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 95602435
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 32697229
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582805
N-(3-cyanothiophen-2-yl)-3-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
CID 18279657
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide (CID 61205508) is N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide is CNCC1CCCN(CCC(=O)Nc2sccc2C#N)C1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
The InChIKey is PAQKZNJPOUYZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-17-10-12-3-2-6-19(11-12)7-4-14(20)18-15-13(9-16)5-8-21-15/h5,8,12,17H,2-4,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide has a molecular weight of 306.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 61205508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).