1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

C19H25N5O2S2 — CID 55930277

IUPAC1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)NC(c2cccs2)C2CCCC2)CC1
InChIInChI=1S/C19H25N5O2S2/c25-17(22-18-23-20-12-28-18)14-7-9-24(10-8-14)19(26)21-16(13-4-1-2-5-13)15-6-3-11-27-15/h3,6,11-14,16H,1-2,4-5,7-10H2,(H,21,26)(H,22,23,25)
InChIKeySHGQPEAPNXFRQH-UHFFFAOYSA-N
MW419.58 g/mol
LogP3.89
Rot. Bonds5

About 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 55930277) has the molecular formula C19H25N5O2S2 and a molecular weight of 419.58 g/mol. Its IUPAC name is 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID55930277
Molecular FormulaC19H25N5O2S2
Molecular Weight419.58 g/mol
Exact Mass419.14
IUPAC Name1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)NC(c2cccs2)C2CCCC2)CC1
InChIInChI=1S/C19H25N5O2S2/c25-17(22-18-23-20-12-28-18)14-7-9-24(10-8-14)19(26)21-16(13-4-1-2-5-13)15-6-3-11-27-15/h3,6,11-14,16H,1-2,4-5,7-10H2,(H,21,26)(H,22,23,25)
InChIKeySHGQPEAPNXFRQH-UHFFFAOYSA-N
XLogP3.89
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 94175624
1-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55919738
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39613287
(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide
CID 97098464
1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523241
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755

Frequently Asked Questions

What is the IUPAC name of 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 55930277) is 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is O=C(Nc1nncs1)C1CCN(C(=O)NC(c2cccs2)C2CCCC2)CC1.
What is the InChIKey of 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is SHGQPEAPNXFRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S2/c25-17(22-18-23-20-12-28-18)14-7-9-24(10-8-14)19(26)21-16(13-4-1-2-5-13)15-6-3-11-27-15/h3,6,11-14,16H,1-2,4-5,7-10H2,(H,21,26)(H,22,23,25).
What are the key properties of 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 419.58 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55930277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).