2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride

C14H29ClN4O2 — CID 119913381

IUPAC2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN(C)C(=O)CN(C)C1CCNCC1.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-4-7-16-13(19)10-18(3)14(20)11-17(2)12-5-8-15-9-6-12;/h12,15H,4-11H2,1-3H3,(H,16,19);1H
InChIKeyMVANRXWJSLRVPL-UHFFFAOYSA-N
MW320.87 g/mol
LogP0.08
Rot. Bonds7

About 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride

2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride (PubChem CID 119913381) has the molecular formula C14H29ClN4O2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
PubChem CID119913381
Molecular FormulaC14H29ClN4O2
Molecular Weight320.87 g/mol
Exact Mass320.20
IUPAC Name2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN(C)C(=O)CN(C)C1CCNCC1.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-4-7-16-13(19)10-18(3)14(20)11-17(2)12-5-8-15-9-6-12;/h12,15H,4-11H2,1-3H3,(H,16,19);1H
InChIKeyMVANRXWJSLRVPL-UHFFFAOYSA-N
XLogP0.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
CID 114626915
N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361
1-methyl-1-piperidin-4-yl-3-propylurea
CID 20569907
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide
CID 64851985
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912963
N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
N-ethyl-2-[methyl-(2-piperidin-4-yloxyacetyl)amino]acetamide
CID 63876044

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride (CID 119913381) is 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride is CCCNC(=O)CN(C)C(=O)CN(C)C1CCNCC1.Cl.
What is the InChIKey of 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride?
The InChIKey is MVANRXWJSLRVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.ClH/c1-4-7-16-13(19)10-18(3)14(20)11-17(2)12-5-8-15-9-6-12;/h12,15H,4-11H2,1-3H3,(H,16,19);1H.
What are the key properties of 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride?
2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119913381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).