N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide

C18H31N3O2 — CID 154754893

IUPACN-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C18H31N3O2/c22-18(20-16-6-2-1-3-7-16)21-11-9-15(10-12-21)19-14-17-8-4-5-13-23-17/h5,13,15-17,19H,1-4,6-12,14H2,(H,20,22)
InChIKeyWZXYYTQDLSSGJX-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.78
Rot. Bonds4

About N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide

N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide (PubChem CID 154754893) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide
PubChem CID154754893
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C18H31N3O2/c22-18(20-16-6-2-1-3-7-16)21-11-9-15(10-12-21)19-14-17-8-4-5-13-23-17/h5,13,15-17,19H,1-4,6-12,14H2,(H,20,22)
InChIKeyWZXYYTQDLSSGJX-UHFFFAOYSA-N
XLogP2.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide (CID 154754893) is N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide?
The InChIKey is WZXYYTQDLSSGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-18(20-16-6-2-1-3-7-16)21-11-9-15(10-12-21)19-14-17-8-4-5-13-23-17/h5,13,15-17,19H,1-4,6-12,14H2,(H,20,22).
What are the key properties of N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide?
N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 154754893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).