N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide

C24H30N2O2S — CID 90290767

IUPACN-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCCCC#Cc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C24H30N2O2S/c27-24(12-5-10-23-11-6-18-29-23)26-15-3-1-2-7-20-8-4-9-22(19-20)28-21-13-16-25-17-14-21/h4,6,8-9,11,18-19,21,25H,1,3,5,10,12-17H2,(H,26,27)
InChIKeyLFGZPWHTGWQKMY-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.15
Rot. Bonds9

About N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide

N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide (PubChem CID 90290767) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide
PubChem CID90290767
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCCCC#Cc1cccc(OC2CCNCC2)c1
InChIInChI=1S/C24H30N2O2S/c27-24(12-5-10-23-11-6-18-29-23)26-15-3-1-2-7-20-8-4-9-22(19-20)28-21-13-16-25-17-14-21/h4,6,8-9,11,18-19,21,25H,1,3,5,10,12-17H2,(H,26,27)
InChIKeyLFGZPWHTGWQKMY-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methyl-N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]butanamide
CID 52919592
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
(2S)-2-amino-N-[5-[3-[(3R)-piperidin-3-yl]oxyphenyl]pent-4-ynyl]butanamide
CID 52919596
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-(4-amino-4-hydroxyiminobutyl)-4-thiophen-2-ylbutanamide
CID 76953161
N-[2-(4-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119549554

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide (CID 90290767) is N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCCCC#Cc1cccc(OC2CCNCC2)c1.
What is the InChIKey of N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide?
The InChIKey is LFGZPWHTGWQKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c27-24(12-5-10-23-11-6-18-29-23)26-15-3-1-2-7-20-8-4-9-22(19-20)28-21-13-16-25-17-14-21/h4,6,8-9,11,18-19,21,25H,1,3,5,10,12-17H2,(H,26,27).
What are the key properties of N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide?
N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide has a molecular weight of 410.58 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-piperidin-4-yloxyphenyl)pent-4-ynyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 90290767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).