N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide

C20H26N2O3 — CID 95156642

IUPACN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C2=COCCC2)C1
InChIInChI=1S/C20H26N2O3/c1-14-10-15(2)12-22(11-14)20(24)17-7-3-4-8-18(17)21-19(23)16-6-5-9-25-13-16/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H,21,23)/t14-,15+
InChIKeyDMBZCKBCPXDLST-GASCZTMLSA-N
MW342.44 g/mol
LogP3.44
Rot. Bonds3

About N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 95156642) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID95156642
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C2=COCCC2)C1
InChIInChI=1S/C20H26N2O3/c1-14-10-15(2)12-22(11-14)20(24)17-7-3-4-8-18(17)21-19(23)16-6-5-9-25-13-16/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H,21,23)/t14-,15+
InChIKeyDMBZCKBCPXDLST-GASCZTMLSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 51942841
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 55676948
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
CID 46442929
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55677590
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
CID 154849352
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 95156642) is N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C2=COCCC2)C1.
What is the InChIKey of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is DMBZCKBCPXDLST-GASCZTMLSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-10-15(2)12-22(11-14)20(24)17-7-3-4-8-18(17)21-19(23)16-6-5-9-25-13-16/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H,21,23)/t14-,15+.
What are the key properties of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 95156642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).