4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide

C19H24N6O3 — CID 154765242

IUPAC4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide
SMILESCc1cccc2c1OCC[C@H]2NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1
InChIInChI=1S/C19H24N6O3/c1-12-3-2-4-14-15(7-10-28-17(12)14)21-19(27)24-8-5-13(6-9-24)25-11-16(18(20)26)22-23-25/h2-4,11,13,15H,5-10H2,1H3,(H2,20,26)(H,21,27)/t15-/m1/s1
InChIKeyBGDBOGCKNBSMPE-OAHLLOKOSA-N
MW384.44 g/mol
LogP1.56
Rot. Bonds3

About 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide

4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide (PubChem CID 154765242) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide
PubChem CID154765242
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide
SMILESCc1cccc2c1OCC[C@H]2NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1
InChIInChI=1S/C19H24N6O3/c1-12-3-2-4-14-15(7-10-28-17(12)14)21-19(27)24-8-5-13(6-9-24)25-11-16(18(20)26)22-23-25/h2-4,11,13,15H,5-10H2,1H3,(H2,20,26)(H,21,27)/t15-/m1/s1
InChIKeyBGDBOGCKNBSMPE-OAHLLOKOSA-N
XLogP1.56
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide
CID 126826858
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CID 135077480
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CID 119761004
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CID 126774817
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CID 110478605
1-[(3R)-3-[[(5S)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 97233403
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
CID 154789313
1-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide (CID 154765242) is 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide is Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1.
What is the InChIKey of 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide?
The InChIKey is BGDBOGCKNBSMPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12-3-2-4-14-15(7-10-28-17(12)14)21-19(27)24-8-5-13(6-9-24)25-11-16(18(20)26)22-23-25/h2-4,11,13,15H,5-10H2,1H3,(H2,20,26)(H,21,27)/t15-/m1/s1.
What are the key properties of 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide?
4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyltriazol-1-yl)-N-[(4R)-8-methyl-3,4-dihydro-2H-chromen-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154765242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).