4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide

C24H40N6O3 — CID 55794635

IUPAC4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C24H40N6O3/c1-3-28(4-2)11-5-9-26-23(31)21-7-12-30(13-8-21)24(32)27-19-20-6-10-25-22(18-20)29-14-16-33-17-15-29/h6,10,18,21H,3-5,7-9,11-17,19H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyKNJCEBDUURDTDX-UHFFFAOYSA-N
MW460.62 g/mol
LogP1.69
Rot. Bonds10

About 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide

4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 55794635) has the molecular formula C24H40N6O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID55794635
Molecular FormulaC24H40N6O3
Molecular Weight460.62 g/mol
Exact Mass460.32
IUPAC Name4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C24H40N6O3/c1-3-28(4-2)11-5-9-26-23(31)21-7-12-30(13-8-21)24(32)27-19-20-6-10-25-22(18-20)29-14-16-33-17-15-29/h6,10,18,21H,3-5,7-9,11-17,19H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyKNJCEBDUURDTDX-UHFFFAOYSA-N
XLogP1.69
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111984605
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 94066498
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168568

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide (CID 55794635) is 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide is CCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is KNJCEBDUURDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O3/c1-3-28(4-2)11-5-9-26-23(31)21-7-12-30(13-8-21)24(32)27-19-20-6-10-25-22(18-20)29-14-16-33-17-15-29/h6,10,18,21H,3-5,7-9,11-17,19H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 460.62 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-1-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55794635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).