(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide

C27H31N5O2 — CID 51661845

IUPAC(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide
SMILESCCN(CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1)c1ccccc1
InChIInChI=1S/C27H31N5O2/c1-2-31(21-11-4-3-5-12-21)17-9-15-28-27(33)20-10-8-16-32(18-20)26-25-24(29-19-30-26)22-13-6-7-14-23(22)34-25/h3-7,11-14,19-20H,2,8-10,15-18H2,1H3,(H,28,33)/t20-/m1/s1
InChIKeyJUKAUAJTTCLKPM-HXUWFJFHSA-N
MW457.58 g/mol
LogP4.63
Rot. Bonds8

About (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide

(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide (PubChem CID 51661845) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide
PubChem CID51661845
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide
SMILESCCN(CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1)c1ccccc1
InChIInChI=1S/C27H31N5O2/c1-2-31(21-11-4-3-5-12-21)17-9-15-28-27(33)20-10-8-16-32(18-20)26-25-24(29-19-30-26)22-13-6-7-14-23(22)34-25/h3-7,11-14,19-20H,2,8-10,15-18H2,1H3,(H,28,33)/t20-/m1/s1
InChIKeyJUKAUAJTTCLKPM-HXUWFJFHSA-N
XLogP4.63
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 50835015
1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326963
(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 51661841
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92897876
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 92884501
N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839463
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(1-benzylpiperidin-4-yl)piperidine-3-carboxamide
CID 51661850
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391

Frequently Asked Questions

What is the IUPAC name of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide (CID 51661845) is (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide is CCN(CCCNC(=O)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1)c1ccccc1.
What is the InChIKey of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide?
The InChIKey is JUKAUAJTTCLKPM-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-2-31(21-11-4-3-5-12-21)17-9-15-28-27(33)20-10-8-16-32(18-20)26-25-24(29-19-30-26)22-13-6-7-14-23(22)34-25/h3-7,11-14,19-20H,2,8-10,15-18H2,1H3,(H,28,33)/t20-/m1/s1.
What are the key properties of (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide?
(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 51661845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).