1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide

C19H30N4O2 — CID 56817809

IUPAC1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-5-6-11-20-18(24)15-9-12-23(13-10-15)19(25)16-7-8-17(21-14-16)22(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,20,24)
InChIKeyPLKZTLLDCZXJJN-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.31
Rot. Bonds7

About 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide

1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 56817809) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
PubChem CID56817809
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccc(N(C)C)nc2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-5-6-11-20-18(24)15-9-12-23(13-10-15)19(25)16-7-8-17(21-14-16)22(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,20,24)
InChIKeyPLKZTLLDCZXJJN-UHFFFAOYSA-N
XLogP2.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973005
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
N-pentyl-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113005611
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 55819361

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide (CID 56817809) is 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccc(N(C)C)nc2)CC1.
What is the InChIKey of 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is PLKZTLLDCZXJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-5-6-11-20-18(24)15-9-12-23(13-10-15)19(25)16-7-8-17(21-14-16)22(2)3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,20,24).
What are the key properties of 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide?
1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyridine-3-carbonyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 56817809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).