N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide

C26H34N2O3 — CID 51958452

IUPACN-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
SMILESCc1cc(O[C@H](C)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)ccc1C(C)C
InChIInChI=1S/C26H34N2O3/c1-18(2)24-11-10-23(16-19(24)3)31-20(4)26(30)28-14-12-22(13-15-28)25(29)27-17-21-8-6-5-7-9-21/h5-11,16,18,20,22H,12-15,17H2,1-4H3,(H,27,29)/t20-/m1/s1
InChIKeyKPSPGDXCXCTTNT-HXUWFJFHSA-N
MW422.57 g/mol
LogP4.44
Rot. Bonds7

About N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide

N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide (PubChem CID 51958452) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
PubChem CID51958452
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
SMILESCc1cc(O[C@H](C)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)ccc1C(C)C
InChIInChI=1S/C26H34N2O3/c1-18(2)24-11-10-23(16-19(24)3)31-20(4)26(30)28-14-12-22(13-15-28)25(29)27-17-21-8-6-5-7-9-21/h5-11,16,18,20,22H,12-15,17H2,1-4H3,(H,27,29)/t20-/m1/s1
InChIKeyKPSPGDXCXCTTNT-HXUWFJFHSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
1-(4-hydroxypiperidin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 110895183
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119546769
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 124588806
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 51913759
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
6-[2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175613
N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25468739
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide (CID 51958452) is N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide is Cc1cc(O[C@H](C)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)ccc1C(C)C.
What is the InChIKey of N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
The InChIKey is KPSPGDXCXCTTNT-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18(2)24-11-10-23(16-19(24)3)31-20(4)26(30)28-14-12-22(13-15-28)25(29)27-17-21-8-6-5-7-9-21/h5-11,16,18,20,22H,12-15,17H2,1-4H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51958452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).