N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide

C27H38N4O2 — CID 68626311

IUPACN-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide
SMILESCCC(N1CCOCC1)N1CCN(C(=O)NC(c2ccc(C)cc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C27H38N4O2/c1-4-25(30-17-19-33-20-18-30)29-13-15-31(16-14-29)27(32)28-26(23-9-5-21(2)6-10-23)24-11-7-22(3)8-12-24/h5-12,25-26H,4,13-20H2,1-3H3,(H,28,32)
InChIKeyKKQQVKJWYLJDRL-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.79
Rot. Bonds6

About N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide

N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide (PubChem CID 68626311) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide
PubChem CID68626311
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC NameN-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide
SMILESCCC(N1CCOCC1)N1CCN(C(=O)NC(c2ccc(C)cc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C27H38N4O2/c1-4-25(30-17-19-33-20-18-30)29-13-15-31(16-14-29)27(32)28-26(23-9-5-21(2)6-10-23)24-11-7-22(3)8-12-24/h5-12,25-26H,4,13-20H2,1-3H3,(H,28,32)
InChIKeyKKQQVKJWYLJDRL-UHFFFAOYSA-N
XLogP3.79
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide (CID 68626311) is N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide is CCC(N1CCOCC1)N1CCN(C(=O)NC(c2ccc(C)cc2)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide?
The InChIKey is KKQQVKJWYLJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-4-25(30-17-19-33-20-18-30)29-13-15-31(16-14-29)27(32)28-26(23-9-5-21(2)6-10-23)24-11-7-22(3)8-12-24/h5-12,25-26H,4,13-20H2,1-3H3,(H,28,32).
What are the key properties of N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide?
N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-4-(1-morpholin-4-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 68626311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).