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

C15H30N4O2 — CID 80546664

IUPACN-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCC(CNCC)CC1
InChIInChI=1S/C15H30N4O2/c1-3-5-8-17-15(21)18-14(20)12-19-9-6-13(7-10-19)11-16-4-2/h13,16H,3-12H2,1-2H3,(H2,17,18,20,21)
InChIKeyZIOBDORAWIIJAL-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.93
Rot. Bonds8

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

N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 80546664) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
PubChem CID80546664
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCC(CNCC)CC1
InChIInChI=1S/C15H30N4O2/c1-3-5-8-17-15(21)18-14(20)12-19-9-6-13(7-10-19)11-16-4-2/h13,16H,3-12H2,1-2H3,(H2,17,18,20,21)
InChIKeyZIOBDORAWIIJAL-UHFFFAOYSA-N
XLogP0.93
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 80552476
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(butylcarbamoyl)acetamide
CID 11932062
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 51102081
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(butylcarbamoyl)acetamide
CID 112630196
2-(4-formylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 62654269
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (CID 80546664) is N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is CCCCNC(=O)NC(=O)CN1CCC(CNCC)CC1.
What is the InChIKey of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is ZIOBDORAWIIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-3-5-8-17-15(21)18-14(20)12-19-9-6-13(7-10-19)11-16-4-2/h13,16H,3-12H2,1-2H3,(H2,17,18,20,21).
What are the key properties of N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 298.43 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 80546664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).