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

C16H33N3O — CID 63848436

IUPACN-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-4-5-8-18-16(20)13-19-9-6-15(7-10-19)12-17-11-14(2)3/h14-15,17H,4-13H2,1-3H3,(H,18,20)
InChIKeyNVPILNDVFOPHME-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.86
Rot. Bonds9

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

N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 63848436) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
PubChem CID63848436
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-4-5-8-18-16(20)13-19-9-6-15(7-10-19)12-17-11-14(2)3/h14-15,17H,4-13H2,1-3H3,(H,18,20)
InChIKeyNVPILNDVFOPHME-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.86
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-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63904959
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide (CID 63848436) is N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide is CCCCNC(=O)CN1CCC(CNCC(C)C)CC1.
What is the InChIKey of N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is NVPILNDVFOPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-5-8-18-16(20)13-19-9-6-15(7-10-19)12-17-11-14(2)3/h14-15,17H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide?
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63848436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).