N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide

C12H25N3O — CID 63249433

IUPACN-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)C(C)N1CCC(CNC)CC1
InChIInChI=1S/C12H25N3O/c1-4-14-12(16)10(2)15-7-5-11(6-8-15)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyUUMUFCHGYCIPTR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds5

About N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide

N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide (PubChem CID 63249433) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
PubChem CID63249433
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)C(C)N1CCC(CNC)CC1
InChIInChI=1S/C12H25N3O/c1-4-14-12(16)10(2)15-7-5-11(6-8-15)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyUUMUFCHGYCIPTR-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
N-ethyl-2-(3-methylpyrrolidin-1-yl)propanamide
CID 130606422
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide (CID 63249433) is N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide is CCNC(=O)C(C)N1CCC(CNC)CC1.
What is the InChIKey of N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide?
The InChIKey is UUMUFCHGYCIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-14-12(16)10(2)15-7-5-11(6-8-15)9-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide?
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 63249433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).