(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C21H25N5O3 — CID 97321201

IUPAC(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)Nc3cccc(COCc4ccco4)c3)C2)n[nH]1
InChIInChI=1S/C21H25N5O3/c1-15-22-20(25-24-15)17-6-3-9-26(12-17)21(27)23-18-7-2-5-16(11-18)13-28-14-19-8-4-10-29-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,23,27)(H,22,24,25)/t17-/m1/s1
InChIKeyBUWMFXVFGWPBRP-QGZVFWFLSA-N
MW395.46 g/mol
LogP3.83
Rot. Bonds6

About (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 97321201) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID97321201
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)Nc3cccc(COCc4ccco4)c3)C2)n[nH]1
InChIInChI=1S/C21H25N5O3/c1-15-22-20(25-24-15)17-6-3-9-26(12-17)21(27)23-18-7-2-5-16(11-18)13-28-14-19-8-4-10-29-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,23,27)(H,22,24,25)/t17-/m1/s1
InChIKeyBUWMFXVFGWPBRP-QGZVFWFLSA-N
XLogP3.83
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125439338
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
2-(cyclopropanecarbonyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 102563648
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55820320
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 90648778
(3S)-N-(1,3-benzothiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125131303
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
2-cyclohexyloxy-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 87006772
N-(3-chlorophenyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 163340304
(3R)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97285122

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 97321201) is (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(COCc4ccco4)c3)C2)n[nH]1.
What is the InChIKey of (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is BUWMFXVFGWPBRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15-22-20(25-24-15)17-6-3-9-26(12-17)21(27)23-18-7-2-5-16(11-18)13-28-14-19-8-4-10-29-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,23,27)(H,22,24,25)/t17-/m1/s1.
What are the key properties of (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97321201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).