N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide

C17H35N3O2 — CID 134335523

IUPACN-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6/h7-14H2,1-6H3,(H,18,21)
InChIKeyYLVFZOGOHRGKSY-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.58
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide

N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide (PubChem CID 134335523) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide
PubChem CID134335523
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC NameN-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6/h7-14H2,1-6H3,(H,18,21)
InChIKeyYLVFZOGOHRGKSY-UHFFFAOYSA-N
XLogP1.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]acetic acid
CID 112590598
N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
CID 135173691
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 86923511
1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]spiro[3.3]heptane);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine
CID 165089282
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
tert-butyl 3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoate
CID 56808667
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-[[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]propyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;tetrakis(gadolinium(3+))
CID 175101202
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
CID 115178486
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 162505425
N-(3,3-dimethylbutyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 87017511

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide (CID 134335523) is N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide is CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide?
The InChIKey is YLVFZOGOHRGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6/h7-14H2,1-6H3,(H,18,21).
What are the key properties of N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide?
N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide has a molecular weight of 313.49 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134335523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).