N-[(1-iodopiperidin-4-yl)methyl]propanamide

C9H17IN2O — CID 146581381

IUPACN-[(1-iodopiperidin-4-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCN(I)CC1
InChIInChI=1S/C9H17IN2O/c1-2-9(13)11-7-8-3-5-12(10)6-4-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyDGYYVCYDSZTSTK-UHFFFAOYSA-N
MW296.15 g/mol
LogP1.57
Rot. Bonds3

About N-[(1-iodopiperidin-4-yl)methyl]propanamide

N-[(1-iodopiperidin-4-yl)methyl]propanamide (PubChem CID 146581381) has the molecular formula C9H17IN2O and a molecular weight of 296.15 g/mol. Its IUPAC name is N-[(1-iodopiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-iodopiperidin-4-yl)methyl]propanamide
PubChem CID146581381
Molecular FormulaC9H17IN2O
Molecular Weight296.15 g/mol
Exact Mass296.04
IUPAC NameN-[(1-iodopiperidin-4-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCN(I)CC1
InChIInChI=1S/C9H17IN2O/c1-2-9(13)11-7-8-3-5-12(10)6-4-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyDGYYVCYDSZTSTK-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
CID 7183073
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
N-[(1-ethylsulfonylpiperidin-3-yl)methyl]propanamide
CID 50847725
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317

Frequently Asked Questions

What is the IUPAC name of N-[(1-iodopiperidin-4-yl)methyl]propanamide?
The IUPAC name of N-[(1-iodopiperidin-4-yl)methyl]propanamide (CID 146581381) is N-[(1-iodopiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-iodopiperidin-4-yl)methyl]propanamide?
The canonical SMILES for N-[(1-iodopiperidin-4-yl)methyl]propanamide is CCC(=O)NCC1CCN(I)CC1.
What is the InChIKey of N-[(1-iodopiperidin-4-yl)methyl]propanamide?
The InChIKey is DGYYVCYDSZTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN2O/c1-2-9(13)11-7-8-3-5-12(10)6-4-8/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[(1-iodopiperidin-4-yl)methyl]propanamide?
N-[(1-iodopiperidin-4-yl)methyl]propanamide has a molecular weight of 296.15 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-iodopiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 146581381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).