N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide

C18H24N4O2S — CID 86976852

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H24N4O2S/c19-12-15-6-11-25-17(15)20-16(23)13-21-9-4-14(5-10-21)18(24)22-7-2-1-3-8-22/h6,11,14H,1-5,7-10,13H2,(H,20,23)
InChIKeyMJSGWSBRHFJWQK-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.28
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 86976852) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID86976852
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H24N4O2S/c19-12-15-6-11-25-17(15)20-16(23)13-21-9-4-14(5-10-21)18(24)22-7-2-1-3-8-22/h6,11,14H,1-5,7-10,13H2,(H,20,23)
InChIKeyMJSGWSBRHFJWQK-UHFFFAOYSA-N
XLogP2.28
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032930
N-(3-cyanothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 43162397
N-(3-cyanothiophen-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898672
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658
N-(3-cyanothiophen-2-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194992
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441838
N-(3-cyanothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2241121
N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95271014
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95271015
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 33112194
N-(3-cyanothiophen-2-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 42957616

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide (CID 86976852) is N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is MJSGWSBRHFJWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c19-12-15-6-11-25-17(15)20-16(23)13-21-9-4-14(5-10-21)18(24)22-7-2-1-3-8-22/h6,11,14H,1-5,7-10,13H2,(H,20,23).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86976852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).