2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide

C29H57N3O — CID 67680693

IUPAC2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NCCC)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C29H57N3O/c1-5-7-8-9-10-11-12-13-14-15-20-29(28(33)30-21-6-2,26-16-22-31(3)23-17-26)27-18-24-32(4)25-19-27/h26-27H,5-25H2,1-4H3,(H,30,33)
InChIKeyRSUMUNHYFAEMNY-UHFFFAOYSA-N
MW463.80 g/mol
LogP6.49
Rot. Bonds16

About 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide

2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide (PubChem CID 67680693) has the molecular formula C29H57N3O and a molecular weight of 463.80 g/mol. Its IUPAC name is 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide.

Molecular Properties

Compound Name2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide
PubChem CID67680693
Molecular FormulaC29H57N3O
Molecular Weight463.80 g/mol
Exact Mass463.45
IUPAC Name2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide
SMILESCCCCCCCCCCCCC(C(=O)NCCC)(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C29H57N3O/c1-5-7-8-9-10-11-12-13-14-15-20-29(28(33)30-21-6-2,26-16-22-31(3)23-17-26)27-18-24-32(4)25-19-27/h26-27H,5-25H2,1-4H3,(H,30,33)
InChIKeyRSUMUNHYFAEMNY-UHFFFAOYSA-N
XLogP6.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-Piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
CID 11532034
1-[4-(2-Piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11612247
3-Dodecylpiperidin-2-one
CID 67992079
1-(4-Piperidin-4-ylpiperidin-1-yl)heptadecan-1-one;hydrochloride
CID 11532641
1-(4-Piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
1-[4-[1-(2-Aminoethyl)piperidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 44592905
N-[5-(3-azaspiro[5.5]undecan-3-yl)pentyl]-2,2-dicyclohexylacetamide;hydrochloride
CID 379298
1-(4-Methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane
CID 59395247
2-Methyl-2,9-diazaspiro(5.5)undecan-3-one dihydrochloride
CID 75531066
2,8-Diazaspiro(5.5)undecan-3-one hydrochloride
CID 145874380
2-(1-Cyclohexanecarbonylpiperidin-4-YL)-N-[3-(diethylamino)propyl]acetamide
CID 46295183
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide?
The IUPAC name of 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide (CID 67680693) is 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide.
What is the SMILES notation for 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide?
The canonical SMILES for 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide is CCCCCCCCCCCCC(C(=O)NCCC)(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide?
The InChIKey is RSUMUNHYFAEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57N3O/c1-5-7-8-9-10-11-12-13-14-15-20-29(28(33)30-21-6-2,26-16-22-31(3)23-17-26)27-18-24-32(4)25-19-27/h26-27H,5-25H2,1-4H3,(H,30,33).
What are the key properties of 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide?
2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide has a molecular weight of 463.80 g/mol, XLogP of 6.49, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-methylpiperidin-4-yl)-N-propyltetradecanamide is sourced from PubChem (CID 67680693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).