N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide

C19H35IN4O — CID 134484779

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide
SMILESCCN1CCC(CN(C(=O)CN2CCC(I)CC2)C2CCNCC2)C1
InChIInChI=1S/C19H35IN4O/c1-2-22-10-5-16(13-22)14-24(18-3-8-21-9-4-18)19(25)15-23-11-6-17(20)7-12-23/h16-18,21H,2-15H2,1H3
InChIKeyWFEPHRZRDVJCCN-UHFFFAOYSA-N
MW462.42 g/mol
LogP1.81
Rot. Bonds6

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide (PubChem CID 134484779) has the molecular formula C19H35IN4O and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide
PubChem CID134484779
Molecular FormulaC19H35IN4O
Molecular Weight462.42 g/mol
Exact Mass462.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide
SMILESCCN1CCC(CN(C(=O)CN2CCC(I)CC2)C2CCNCC2)C1
InChIInChI=1S/C19H35IN4O/c1-2-22-10-5-16(13-22)14-24(18-3-8-21-9-4-18)19(25)15-23-11-6-17(20)7-12-23/h16-18,21H,2-15H2,1H3
InChIKeyWFEPHRZRDVJCCN-UHFFFAOYSA-N
XLogP1.81
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N,N-dimethyl-3-[[2-(4-methylpiperidin-1-yl)acetyl]-piperidin-4-ylamino]propanamide
CID 118052259
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-(4-methylpiperidin-1-yl)-N-piperidin-4-ylacetamide
CID 118052241
N-cyclopropyl-N-(piperidin-4-ylmethyl)propanamide;hydrochloride
CID 126511804
ethyl 2-[cyclopropyl-(2-piperazin-1-ylacetyl)amino]acetate
CID 54944312
4-[ethyl-[(1-ethylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 122560579
N-cyclohexyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide;hydrochloride
CID 119906882
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 131926271
1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
CID 171641363
N-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-piperidin-4-ylpropanamide
CID 125120849

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide (CID 134484779) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide is CCN1CCC(CN(C(=O)CN2CCC(I)CC2)C2CCNCC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide?
The InChIKey is WFEPHRZRDVJCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35IN4O/c1-2-22-10-5-16(13-22)14-24(18-3-8-21-9-4-18)19(25)15-23-11-6-17(20)7-12-23/h16-18,21H,2-15H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide has a molecular weight of 462.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(4-iodopiperidin-1-yl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 134484779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).