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

C24H30N4O2 — CID 46290253

IUPACN-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)NCC(C)c3ccccc3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C24H30N4O2/c1-15(19-9-6-5-7-10-19)13-25-23(29)20-11-8-12-28(14-20)22-21-16(2)17(3)30-24(21)27-18(4)26-22/h5-7,9-10,15,20H,8,11-14H2,1-4H3,(H,25,29)
InChIKeyBIXMXPSJBXVSMM-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.28
Rot. Bonds5

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

N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 46290253) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID46290253
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)NCC(C)c3ccccc3)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C24H30N4O2/c1-15(19-9-6-5-7-10-19)13-25-23(29)20-11-8-12-28(14-20)22-21-16(2)17(3)30-24(21)27-18(4)26-22/h5-7,9-10,15,20H,8,11-14H2,1-4H3,(H,25,29)
InChIKeyBIXMXPSJBXVSMM-UHFFFAOYSA-N
XLogP4.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290291
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408
(3S)-N-[2-(furan-2-yl)ethyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92887871
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866435
(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
(3R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866603

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 46290253) is N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc(N2CCCC(C(=O)NCC(C)c3ccccc3)C2)c2c(C)c(C)oc2n1.
What is the InChIKey of N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is BIXMXPSJBXVSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15(19-9-6-5-7-10-19)13-25-23(29)20-11-8-12-28(14-20)22-21-16(2)17(3)30-24(21)27-18(4)26-22/h5-7,9-10,15,20H,8,11-14H2,1-4H3,(H,25,29).
What are the key properties of N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46290253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).