N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide

C23H38N4O2 — CID 53384008

IUPACN-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
SMILESCC(C)(C)C(C(=O)NCc1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C23H38N4O2/c1-23(2,3)21(22(28)24-19-20-7-5-4-6-8-20)27-13-11-25(12-14-27)9-10-26-15-17-29-18-16-26/h4-8,21H,9-19H2,1-3H3,(H,24,28)
InChIKeySLSPBZCBMHCLDN-UHFFFAOYSA-N
MW402.58 g/mol
LogP1.67
Rot. Bonds7

About N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide

N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide (PubChem CID 53384008) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
PubChem CID53384008
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC NameN-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
SMILESCC(C)(C)C(C(=O)NCc1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C23H38N4O2/c1-23(2,3)21(22(28)24-19-20-7-5-4-6-8-20)27-13-11-25(12-14-27)9-10-26-15-17-29-18-16-26/h4-8,21H,9-19H2,1-3H3,(H,24,28)
InChIKeySLSPBZCBMHCLDN-UHFFFAOYSA-N
XLogP1.67
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
The IUPAC name of N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide (CID 53384008) is N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide.
What is the SMILES notation for N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
The canonical SMILES for N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide is CC(C)(C)C(C(=O)NCc1ccccc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
The InChIKey is SLSPBZCBMHCLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-23(2,3)21(22(28)24-19-20-7-5-4-6-8-20)27-13-11-25(12-14-27)9-10-26-15-17-29-18-16-26/h4-8,21H,9-19H2,1-3H3,(H,24,28).
What are the key properties of N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide has a molecular weight of 402.58 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-dimethyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 53384008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).