(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C23H34N4O2 — CID 92866435

IUPAC(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C23H34N4O2/c1-15-16(2)29-23-20(15)21(24-17(3)25-23)27-13-9-10-18(14-27)22(28)26-19-11-7-5-4-6-8-12-19/h18-19H,4-14H2,1-3H3,(H,26,28)/t18-/m1/s1
InChIKeySLGXDZSQSTZXNQ-GOSISDBHSA-N
MW398.55 g/mol
LogP4.59
Rot. Bonds3

About (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92866435) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92866435
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C23H34N4O2/c1-15-16(2)29-23-20(15)21(24-17(3)25-23)27-13-9-10-18(14-27)22(28)26-19-11-7-5-4-6-8-12-19/h18-19H,4-14H2,1-3H3,(H,26,28)/t18-/m1/s1
InChIKeySLGXDZSQSTZXNQ-GOSISDBHSA-N
XLogP4.59
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290279
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
(3S)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866404
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866538
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290253
N-[4-(trifluoromethoxy)phenyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290266
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92866435) is (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)c2c(C)c(C)oc2n1.
What is the InChIKey of (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is SLGXDZSQSTZXNQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-15-16(2)29-23-20(15)21(24-17(3)25-23)27-13-9-10-18(14-27)22(28)26-19-11-7-5-4-6-8-12-19/h18-19H,4-14H2,1-3H3,(H,26,28)/t18-/m1/s1.
What are the key properties of (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92866435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).