N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide

C18H27N3O3S — CID 49407863

IUPACN-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)CCNC(=O)c2cccs2)C1
InChIInChI=1S/C18H27N3O3S/c1-2-3-9-19-17(23)14-6-4-11-21(13-14)16(22)8-10-20-18(24)15-7-5-12-25-15/h5,7,12,14H,2-4,6,8-11,13H2,1H3,(H,19,23)(H,20,24)
InChIKeyYLKGEBPBMVCXSK-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.02
Rot. Bonds8

About N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide

N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide (PubChem CID 49407863) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
PubChem CID49407863
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)CCNC(=O)c2cccs2)C1
InChIInChI=1S/C18H27N3O3S/c1-2-3-9-19-17(23)14-6-4-11-21(13-14)16(22)8-10-20-18(24)15-7-5-12-25-15/h5,7,12,14H,2-4,6,8-11,13H2,1H3,(H,19,23)(H,20,24)
InChIKeyYLKGEBPBMVCXSK-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
CID 49401377
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47088317
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide (CID 49407863) is N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)CCNC(=O)c2cccs2)C1.
What is the InChIKey of N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
The InChIKey is YLKGEBPBMVCXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-3-9-19-17(23)14-6-4-11-21(13-14)16(22)8-10-20-18(24)15-7-5-12-25-15/h5,7,12,14H,2-4,6,8-11,13H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide?
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 49407863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).