2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide

C14H29N3O — CID 78823735

IUPAC2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCC1CCCCN1C
InChIInChI=1S/C14H29N3O/c1-4-9-15-14(18)12-16(2)11-8-13-7-5-6-10-17(13)3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyPVWANWXPNILDGS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.32
Rot. Bonds7

About 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide

2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide (PubChem CID 78823735) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
PubChem CID78823735
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCC1CCCCN1C
InChIInChI=1S/C14H29N3O/c1-4-9-15-14(18)12-16(2)11-8-13-7-5-6-10-17(13)3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyPVWANWXPNILDGS-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[methyl-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]amino]acetamide
CID 98878574
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 71988848
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 107910875
N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 60690448
2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
CID 167457610
2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119916207
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide (CID 78823735) is 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)CCC1CCCCN1C.
What is the InChIKey of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide?
The InChIKey is PVWANWXPNILDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-9-15-14(18)12-16(2)11-8-13-7-5-6-10-17(13)3/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide?
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide is sourced from PubChem (CID 78823735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).