2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide

C15H29N3O2 — CID 115307268

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-20-10-2-7-16-15(19)12-18-8-5-14(6-9-18)17-11-13-3-4-13/h13-14,17H,2-12H2,1H3,(H,16,19)
InChIKeyHURNLTKFMDOKTJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.60
Rot. Bonds9

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 115307268) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID115307268
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-20-10-2-7-16-15(19)12-18-8-5-14(6-9-18)17-11-13-3-4-13/h13-14,17H,2-12H2,1H3,(H,16,19)
InChIKeyHURNLTKFMDOKTJ-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55432331
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 81493119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 115307268) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is HURNLTKFMDOKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-20-10-2-7-16-15(19)12-18-8-5-14(6-9-18)17-11-13-3-4-13/h13-14,17H,2-12H2,1H3,(H,16,19).
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 283.42 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 115307268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).