N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide

C14H29N3O — CID 63847877

IUPACN-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(CNCC)CC1
InChIInChI=1S/C14H29N3O/c1-3-5-8-16-14(18)12-17-9-6-13(7-10-17)11-15-4-2/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyKGNPRCHBWOTDKX-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds8

About N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide

N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63847877) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63847877
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(CNCC)CC1
InChIInChI=1S/C14H29N3O/c1-3-5-8-16-14(18)12-17-9-6-13(7-10-17)11-15-4-2/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyKGNPRCHBWOTDKX-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (CID 63847877) is N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is CCCCNC(=O)CN1CCC(CNCC)CC1.
What is the InChIKey of N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is KGNPRCHBWOTDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-5-8-16-14(18)12-17-9-6-13(7-10-17)11-15-4-2/h13,15H,3-12H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63847877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).