N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide

C20H36N2O — CID 42564928

IUPACN-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
SMILESCC(C)=CCC[C@H](C)CN1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C20H36N2O/c1-16(2)5-4-6-17(3)15-22-13-11-18(12-14-22)7-10-20(23)21-19-8-9-19/h5,17-19H,4,6-15H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyLKMWOMUMLMDAFQ-KRWDZBQOSA-N
MW320.52 g/mol
LogP4.14
Rot. Bonds9

About N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide (PubChem CID 42564928) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
PubChem CID42564928
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC NameN-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
SMILESCC(C)=CCC[C@H](C)CN1CCC(CCC(=O)NC2CC2)CC1
InChIInChI=1S/C20H36N2O/c1-16(2)5-4-6-17(3)15-22-13-11-18(12-14-22)7-10-20(23)21-19-8-9-19/h5,17-19H,4,6-15H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyLKMWOMUMLMDAFQ-KRWDZBQOSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide (CID 42564928) is N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide is CC(C)=CCC[C@H](C)CN1CCC(CCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide?
The InChIKey is LKMWOMUMLMDAFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H36N2O/c1-16(2)5-4-6-17(3)15-22-13-11-18(12-14-22)7-10-20(23)21-19-8-9-19/h5,17-19H,4,6-15H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide has a molecular weight of 320.52 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42564928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).