1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide

C16H28N2O3 — CID 97100975

IUPAC1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1
InChIInChI=1S/C16H28N2O3/c1-3-21-11-10-16(8-4-5-9-16)15(20)17-13-6-7-14(19)18(2)12-13/h13H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyPKZRRWRZPDWZCM-ZDUSSCGKSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds6

About 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide

1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 97100975) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide
PubChem CID97100975
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1
InChIInChI=1S/C16H28N2O3/c1-3-21-11-10-16(8-4-5-9-16)15(20)17-13-6-7-14(19)18(2)12-13/h13H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyPKZRRWRZPDWZCM-ZDUSSCGKSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide (CID 97100975) is 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide is CCOCCC1(C(=O)N[C@H]2CCC(=O)N(C)C2)CCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is PKZRRWRZPDWZCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-21-11-10-16(8-4-5-9-16)15(20)17-13-6-7-14(19)18(2)12-13/h13H,3-12H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide?
1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 97100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).