N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C20H32N6O3S — CID 20958330

IUPACN-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1
InChIInChI=1S/C20H32N6O3S/c27-17-4-1-2-9-26(17)20-23-22-19(30-20)25-10-5-16(6-11-25)18(28)21-7-3-8-24-12-14-29-15-13-24/h16H,1-15H2,(H,21,28)
InChIKeyHGFWKHFNJVOEOB-UHFFFAOYSA-N
MW436.58 g/mol
LogP1.11
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 20958330) has the molecular formula C20H32N6O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID20958330
Molecular FormulaC20H32N6O3S
Molecular Weight436.58 g/mol
Exact Mass436.23
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1
InChIInChI=1S/C20H32N6O3S/c27-17-4-1-2-9-26(17)20-23-22-19(30-20)25-10-5-16(6-11-25)18(28)21-7-3-8-24-12-14-29-15-13-24/h16H,1-15H2,(H,21,28)
InChIKeyHGFWKHFNJVOEOB-UHFFFAOYSA-N
XLogP1.11
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958204
N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 126459192
N-[3-(diethylamino)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513379
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513414
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958377
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958205
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22513389
N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958320
(3S)-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92668481
N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513416
N-[3-(N-ethyl-3-methylanilino)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513407
N-[3-(4-propylpiperazin-1-yl)propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 3240892

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 20958330) is N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is O=C(NCCCN1CCOCC1)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is HGFWKHFNJVOEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O3S/c27-17-4-1-2-9-26(17)20-23-22-19(30-20)25-10-5-16(6-11-25)18(28)21-7-3-8-24-12-14-29-15-13-24/h16H,1-15H2,(H,21,28).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20958330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).