3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide

C15H30N2O — CID 63834825

IUPAC3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide
SMILESCC(NC(=O)CC(C)C(C)(C)C)C1CCCNC1
InChIInChI=1S/C15H30N2O/c1-11(15(3,4)5)9-14(18)17-12(2)13-7-6-8-16-10-13/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyXJBGGAVWOBQIKQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.56
Rot. Bonds4

About 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide

3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide (PubChem CID 63834825) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide
PubChem CID63834825
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide
SMILESCC(NC(=O)CC(C)C(C)(C)C)C1CCCNC1
InChIInChI=1S/C15H30N2O/c1-11(15(3,4)5)9-14(18)17-12(2)13-7-6-8-16-10-13/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyXJBGGAVWOBQIKQ-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4-trimethyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 55260130
2-cyclobutyl-N-(1-piperidin-3-ylethyl)acetamide
CID 103806063
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930
1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
2-(1-adamantyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 119474052
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide (CID 63834825) is 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide is CC(NC(=O)CC(C)C(C)(C)C)C1CCCNC1.
What is the InChIKey of 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide?
The InChIKey is XJBGGAVWOBQIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(15(3,4)5)9-14(18)17-12(2)13-7-6-8-16-10-13/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide?
3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide has a molecular weight of 254.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide is sourced from PubChem (CID 63834825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).