N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide

C10H18IN3O — CID 142009370

IUPACN-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(I)CC1)N1CCCC1
InChIInChI=1S/C10H18IN3O/c11-14-7-3-9(4-8-14)12-10(15)13-5-1-2-6-13/h9H,1-8H2,(H,12,15)
InChIKeyJCYXJFJZOFSITP-UHFFFAOYSA-N
MW323.18 g/mol
LogP1.61
Rot. Bonds1

About N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide

N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 142009370) has the molecular formula C10H18IN3O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID142009370
Molecular FormulaC10H18IN3O
Molecular Weight323.18 g/mol
Exact Mass323.05
IUPAC NameN-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(I)CC1)N1CCCC1
InChIInChI=1S/C10H18IN3O/c11-14-7-3-9(4-8-14)12-10(15)13-5-1-2-6-13/h9H,1-8H2,(H,12,15)
InChIKeyJCYXJFJZOFSITP-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 51.61
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-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
CID 79161033
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
N-(4-oxocyclohexyl)piperidine-1-carboxamide
CID 79155633
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528

Frequently Asked Questions

What is the IUPAC name of N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide (CID 142009370) is N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide is O=C(NC1CCN(I)CC1)N1CCCC1.
What is the InChIKey of N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is JCYXJFJZOFSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN3O/c11-14-7-3-9(4-8-14)12-10(15)13-5-1-2-6-13/h9H,1-8H2,(H,12,15).
What are the key properties of N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide?
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 1.61, 1 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)pyrrolidine-1-carboxamide is sourced from PubChem (CID 142009370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).