2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide

C14H27N3O3 — CID 63904487

IUPAC2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-11(2)14(19)17-9-8-16-13(18)5-10-20-12-3-6-15-7-4-12/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWKSWGUAKORDXHM-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.03
Rot. Bonds8

About 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide

2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide (PubChem CID 63904487) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
PubChem CID63904487
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-11(2)14(19)17-9-8-16-13(18)5-10-20-12-3-6-15-7-4-12/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWKSWGUAKORDXHM-UHFFFAOYSA-N
XLogP0.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
N-(2-hydroxy-4-methylpentyl)-3-piperidin-4-yloxypropanamide
CID 103920724
N-[2-[ethyl(methyl)amino]ethyl]-3-piperidin-4-yloxypropanamide
CID 63902801
N-[3-(cyclopropylmethoxy)propyl]-3-piperidin-4-yloxypropanamide
CID 63876469
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-piperidin-4-yloxypropanamide
CID 63903373
N-(2-amino-2-oxoethyl)-3-piperidin-4-yloxypropanamide
CID 63875429
N-[2-(dimethylamino)-2-oxoethyl]-3-piperidin-4-yloxypropanamide
CID 63874940
2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid
CID 106108800
3-piperidin-4-yloxy-N-(2-piperidin-1-ylpropyl)propanamide
CID 63877201
3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 63875272
3,4,4-trimethyl-N-(2-piperidin-4-yloxyethyl)pentanamide
CID 55251825
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide (CID 63904487) is 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide is CC(C)C(=O)NCCNC(=O)CCOC1CCNCC1.
What is the InChIKey of 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide?
The InChIKey is WKSWGUAKORDXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)14(19)17-9-8-16-13(18)5-10-20-12-3-6-15-7-4-12/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide?
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide is sourced from PubChem (CID 63904487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).