1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide

C18H26N2O3 — CID 39730033

IUPAC1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-12(2)15-6-4-5-7-16(15)23-13(3)18(22)20-10-8-14(9-11-20)17(19)21/h4-7,12-14H,8-11H2,1-3H3,(H2,19,21)/t13-/m1/s1
InChIKeyRYJJVFLAZCXGOX-CYBMUJFWSA-N
MW318.42 g/mol
LogP2.30
Rot. Bonds5

About 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide

1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide (PubChem CID 39730033) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
PubChem CID39730033
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N2O3/c1-12(2)15-6-4-5-7-16(15)23-13(3)18(22)20-10-8-14(9-11-20)17(19)21/h4-7,12-14H,8-11H2,1-3H3,(H2,19,21)/t13-/m1/s1
InChIKeyRYJJVFLAZCXGOX-CYBMUJFWSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
1-[(2R)-2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxamide
CID 95289341
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108558492
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108548367
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43875713

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide (CID 39730033) is 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide is CC(C)c1ccccc1O[C@H](C)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
The InChIKey is RYJJVFLAZCXGOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)15-6-4-5-7-16(15)23-13(3)18(22)20-10-8-14(9-11-20)17(19)21/h4-7,12-14H,8-11H2,1-3H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide?
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39730033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).