N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide

C14H29N3O — CID 113267480

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)15-9-5-14(18)16-8-4-13-6-10-17(3)11-7-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyCZZIATTWBXHHDS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds7

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 113267480) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID113267480
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)15-9-5-14(18)16-8-4-13-6-10-17(3)11-7-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyCZZIATTWBXHHDS-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114515072
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide (CID 113267480) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCCC1CCN(C)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is CZZIATTWBXHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)15-9-5-14(18)16-8-4-13-6-10-17(3)11-7-13/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 113267480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).