N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide

C16H26N2O3 — CID 167955736

IUPACN-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
SMILESC=CC(=O)N1CCC(N(C)C(=O)CC[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H26N2O3/c1-3-15(19)18-10-8-13(9-11-18)17(2)16(20)7-6-14-5-4-12-21-14/h3,13-14H,1,4-12H2,2H3/t14-/m0/s1
InChIKeyAJFXHGRHGLQMQS-AWEZNQCLSA-N
MW294.39 g/mol
LogP1.58
Rot. Bonds5

About N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide

N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide (PubChem CID 167955736) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
PubChem CID167955736
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
SMILESC=CC(=O)N1CCC(N(C)C(=O)CC[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H26N2O3/c1-3-15(19)18-10-8-13(9-11-18)17(2)16(20)7-6-14-5-4-12-21-14/h3,13-14H,1,4-12H2,2H3/t14-/m0/s1
InChIKeyAJFXHGRHGLQMQS-AWEZNQCLSA-N
XLogP1.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
CID 94093395
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 136511620
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152624
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminopropyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152557
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
CID 93332934
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 78860233
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
The IUPAC name of N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide (CID 167955736) is N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
The canonical SMILES for N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide is C=CC(=O)N1CCC(N(C)C(=O)CC[C@@H]2CCCO2)CC1.
What is the InChIKey of N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
The InChIKey is AJFXHGRHGLQMQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-15(19)18-10-8-13(9-11-18)17(2)16(20)7-6-14-5-4-12-21-14/h3,13-14H,1,4-12H2,2H3/t14-/m0/s1.
What are the key properties of N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide?
N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide is sourced from PubChem (CID 167955736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).