N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen

C19H38N4O — CID 154670951

IUPACN-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen
SMILESCCN1CCN(CCN2CC3(CC(CNC(=O)C(C)C)C3)C2)CC1.[H][H]
InChIInChI=1S/C19H36N4O.H2/c1-4-21-5-7-22(8-6-21)9-10-23-14-19(15-23)11-17(12-19)13-20-18(24)16(2)3;/h16-17H,4-15H2,1-3H3,(H,20,24);1H
InChIKeySRZAUSIPUSNUJY-UHFFFAOYSA-N
MW338.54 g/mol
LogP1.35
Rot. Bonds7

About N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen

N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen (PubChem CID 154670951) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen
PubChem CID154670951
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC NameN-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen
SMILESCCN1CCN(CCN2CC3(CC(CNC(=O)C(C)C)C3)C2)CC1.[H][H]
InChIInChI=1S/C19H36N4O.H2/c1-4-21-5-7-22(8-6-21)9-10-23-14-19(15-23)11-17(12-19)13-20-18(24)16(2)3;/h16-17H,4-15H2,1-3H3,(H,20,24);1H
InChIKeySRZAUSIPUSNUJY-UHFFFAOYSA-N
XLogP1.35
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
CID 154670605
2-methyl-N-[[2-[3-(4-methylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]propanamide;molecular hydrogen
CID 166466687
N-[[7-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylbutanamide
CID 166466698
ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen
CID 154670807
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
4-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 80543737
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
CID 154671501
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
CID 164715698

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen (CID 154670951) is N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen is CCN1CCN(CCN2CC3(CC(CNC(=O)C(C)C)C3)C2)CC1.[H][H].
What is the InChIKey of N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is SRZAUSIPUSNUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.H2/c1-4-21-5-7-22(8-6-21)9-10-23-14-19(15-23)11-17(12-19)13-20-18(24)16(2)3;/h16-17H,4-15H2,1-3H3,(H,20,24);1H.
What are the key properties of N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen?
N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 338.54 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 154670951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).