N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide

C25H42N4O2 — CID 56546544

IUPACN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1ccccc1CN1CCN(CC)CC1
InChIInChI=1S/C25H42N4O2/c1-4-14-29(15-5-2)25(31)13-9-12-24(30)26-20-22-10-7-8-11-23(22)21-28-18-16-27(6-3)17-19-28/h7-8,10-11H,4-6,9,12-21H2,1-3H3,(H,26,30)
InChIKeyXRHBABSPRBPTTP-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.26
Rot. Bonds13

About N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide (PubChem CID 56546544) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
PubChem CID56546544
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCc1ccccc1CN1CCN(CC)CC1
InChIInChI=1S/C25H42N4O2/c1-4-14-29(15-5-2)25(31)13-9-12-24(30)26-20-22-10-7-8-11-23(22)21-28-18-16-27(6-3)17-19-28/h7-8,10-11H,4-6,9,12-21H2,1-3H3,(H,26,30)
InChIKeyXRHBABSPRBPTTP-UHFFFAOYSA-N
XLogP3.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425
N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55714907
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545515
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55715142
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55843018
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
CID 56538874
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55664754

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide (CID 56546544) is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCc1ccccc1CN1CCN(CC)CC1.
What is the InChIKey of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide?
The InChIKey is XRHBABSPRBPTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-4-14-29(15-5-2)25(31)13-9-12-24(30)26-20-22-10-7-8-11-23(22)21-28-18-16-27(6-3)17-19-28/h7-8,10-11H,4-6,9,12-21H2,1-3H3,(H,26,30).
What are the key properties of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide?
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide has a molecular weight of 430.64 g/mol, XLogP of 3.26, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56546544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).