N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide

C18H25N3O2 — CID 119323819

IUPACN-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide
SMILESO=C(NCCCC(=O)N1Cc2ccccc2C1)C1CCCCN1
InChIInChI=1S/C18H25N3O2/c22-17(21-12-14-6-1-2-7-15(14)13-21)9-5-11-20-18(23)16-8-3-4-10-19-16/h1-2,6-7,16,19H,3-5,8-13H2,(H,20,23)
InChIKeyPXDLMRJLPRDXAH-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.57
Rot. Bonds5

About N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide

N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide (PubChem CID 119323819) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide
PubChem CID119323819
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide
SMILESO=C(NCCCC(=O)N1Cc2ccccc2C1)C1CCCCN1
InChIInChI=1S/C18H25N3O2/c22-17(21-12-14-6-1-2-7-15(14)13-21)9-5-11-20-18(23)16-8-3-4-10-19-16/h1-2,6-7,16,19H,3-5,8-13H2,(H,20,23)
InChIKeyPXDLMRJLPRDXAH-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323821
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-2-carboxamide
CID 112687692

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide (CID 119323819) is N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide is O=C(NCCCC(=O)N1Cc2ccccc2C1)C1CCCCN1.
What is the InChIKey of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide?
The InChIKey is PXDLMRJLPRDXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(21-12-14-6-1-2-7-15(14)13-21)9-5-11-20-18(23)16-8-3-4-10-19-16/h1-2,6-7,16,19H,3-5,8-13H2,(H,20,23).
What are the key properties of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide?
N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]piperidine-2-carboxamide is sourced from PubChem (CID 119323819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).