N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C18H26N2O3S — CID 18120928

IUPACN-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCOCC1CC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H26N2O3S/c21-17(19-8-2-11-23-13-14-4-5-14)15-6-9-20(10-7-15)18(22)16-3-1-12-24-16/h1,3,12,14-15H,2,4-11,13H2,(H,19,21)
InChIKeyTXCOKMNJDFOEPK-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.53
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 18120928) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID18120928
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCOCC1CC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H26N2O3S/c21-17(19-8-2-11-23-13-14-4-5-14)15-6-9-20(10-7-15)18(22)16-3-1-12-24-16/h1,3,12,14-15H,2,4-11,13H2,(H,19,21)
InChIKeyTXCOKMNJDFOEPK-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
CID 46419524
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27845585
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 8744694

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 18120928) is N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCCCOCC1CC1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is TXCOKMNJDFOEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-17(19-8-2-11-23-13-14-4-5-14)15-6-9-20(10-7-15)18(22)16-3-1-12-24-16/h1,3,12,14-15H,2,4-11,13H2,(H,19,21).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 18120928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).