N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C16H33N5O2 — CID 113105897

IUPACN-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C16H33N5O2/c1-18(2)5-3-4-17-16(22)21-10-8-19(9-11-21)6-7-20-12-14-23-15-13-20/h3-15H2,1-2H3,(H,17,22)
InChIKeyFDSOIEJXQUKUIT-UHFFFAOYSA-N
MW327.47 g/mol
LogP-0.40
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113105897) has the molecular formula C16H33N5O2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113105897
Molecular FormulaC16H33N5O2
Molecular Weight327.47 g/mol
Exact Mass327.26
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C16H33N5O2/c1-18(2)5-3-4-17-16(22)21-10-8-19(9-11-21)6-7-20-12-14-23-15-13-20/h3-15H2,1-2H3,(H,17,22)
InChIKeyFDSOIEJXQUKUIT-UHFFFAOYSA-N
XLogP-0.40
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105782
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-[3-(dimethylamino)propyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 108995187
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115508
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113105897) is N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is CN(C)CCCNC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is FDSOIEJXQUKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5O2/c1-18(2)5-3-4-17-16(22)21-10-8-19(9-11-21)6-7-20-12-14-23-15-13-20/h3-15H2,1-2H3,(H,17,22).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).