N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide

C16H24IN3O — CID 170437756

IUPACN-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(CI)CN1CCCCC1
InChIInChI=1S/C16H24IN3O/c1-2-16(21)20(15-8-4-5-9-18-15)14(12-17)13-19-10-6-3-7-11-19/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyMDADQXJMZLECHU-UHFFFAOYSA-N
MW401.29 g/mol
LogP3.11
Rot. Bonds6

About N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide

N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 170437756) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID170437756
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC NameN-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C(CI)CN1CCCCC1
InChIInChI=1S/C16H24IN3O/c1-2-16(21)20(15-8-4-5-9-18-15)14(12-17)13-19-10-6-3-7-11-19/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyMDADQXJMZLECHU-UHFFFAOYSA-N
XLogP3.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,3-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
CID 3041491
N-[1-(2,2-dimethylazepan-1-yl)propan-2-yl]-N-pyridin-2-ylpropanamide
CID 3041490
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide;hydrochloride
CID 3041466
N-(2-piperidin-1-ylpropyl)-N-pyridin-2-ylpropanamide
CID 3041469
N-[1-[(2R,5R)-2,5-dimethylpiperidin-1-yl]propan-2-yl]-N-pyridin-2-ylpropanamide
CID 24843226
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 609668
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994
2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione
CID 102370657
N-(4-methoxyphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 24843780
ethyl 4-[methyl(pyridin-2-yl)amino]cyclohexane-1-carboxylate
CID 115149187
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide (CID 170437756) is N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C(CI)CN1CCCCC1.
What is the InChIKey of N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is MDADQXJMZLECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O/c1-2-16(21)20(15-8-4-5-9-18-15)14(12-17)13-19-10-6-3-7-11-19/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3.
What are the key properties of N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide?
N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 401.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 170437756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).