4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide

C20H30N2O3 — CID 53150582

IUPAC4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OCC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-14(2)20(24)22-11-9-16(10-12-22)13-25-18-7-5-17(6-8-18)19(23)21-15(3)4/h5-8,14-16H,9-13H2,1-4H3,(H,21,23)
InChIKeyDRMZXVAMTBIFMH-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.10
Rot. Bonds6

About 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide

4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 53150582) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID53150582
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OCC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-14(2)20(24)22-11-9-16(10-12-22)13-25-18-7-5-17(6-8-18)19(23)21-15(3)4/h5-8,14-16H,9-13H2,1-4H3,(H,21,23)
InChIKeyDRMZXVAMTBIFMH-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573
4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
2-[1-[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]piperidin-4-yl]acetic acid
CID 120515316
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911
4-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097967
4-[[(3R)-1-(2-chlorobenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097997
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097972
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide (CID 53150582) is 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is DRMZXVAMTBIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)20(24)22-11-9-16(10-12-22)13-25-18-7-5-17(6-8-18)19(23)21-15(3)4/h5-8,14-16H,9-13H2,1-4H3,(H,21,23).
What are the key properties of 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53150582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).