N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C22H34N6OS — CID 20926481

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1
InChIInChI=1S/C22H34N6OS/c1-26(19-10-3-2-4-11-19)13-8-12-23-20(29)18-9-7-16-28(17-18)22-25-24-21(30-22)27-14-5-6-15-27/h5-6,14-15,18-19H,2-4,7-13,16-17H2,1H3,(H,23,29)
InChIKeyMWELFGTYBHGRCT-UHFFFAOYSA-N
MW430.62 g/mol
LogP3.32
Rot. Bonds8

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20926481) has the molecular formula C22H34N6OS and a molecular weight of 430.62 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID20926481
Molecular FormulaC22H34N6OS
Molecular Weight430.62 g/mol
Exact Mass430.25
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCN(CCCNC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1
InChIInChI=1S/C22H34N6OS/c1-26(19-10-3-2-4-11-19)13-8-12-23-20(29)18-9-7-16-28(17-18)22-25-24-21(30-22)27-14-5-6-15-27/h5-6,14-15,18-19H,2-4,7-13,16-17H2,1H3,(H,23,29)
InChIKeyMWELFGTYBHGRCT-UHFFFAOYSA-N
XLogP3.32
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889432
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 20958161
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893061
(3S)-N-(2-morpholin-4-ylethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701570
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 126478993
N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889395
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513414
(3R)-N-butyl-N-methyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92706767
N-(3,4-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926428
(3S)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701562
(3R)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701561
(3S)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92678856

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 20926481) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CN(CCCNC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is MWELFGTYBHGRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6OS/c1-26(19-10-3-2-4-11-19)13-8-12-23-20(29)18-9-7-16-28(17-18)22-25-24-21(30-22)27-14-5-6-15-27/h5-6,14-15,18-19H,2-4,7-13,16-17H2,1H3,(H,23,29).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 430.62 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20926481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).