(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

C21H41N3O2 — CID 70998444

IUPAC(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCCCCCCCCCNC(=O)N1CCC[C@H](C(=O)N(CC)CC)C1
InChIInChI=1S/C21H41N3O2/c1-4-7-8-9-10-11-12-13-16-22-21(26)24-17-14-15-19(18-24)20(25)23(5-2)6-3/h19H,4-18H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyQPFIFCKOOZZCDG-IBGZPJMESA-N
MW367.58 g/mol
LogP4.42
Rot. Bonds12

About (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 70998444) has the molecular formula C21H41N3O2 and a molecular weight of 367.58 g/mol. Its IUPAC name is (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID70998444
Molecular FormulaC21H41N3O2
Molecular Weight367.58 g/mol
Exact Mass367.32
IUPAC Name(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCCCCCCCCCNC(=O)N1CCC[C@H](C(=O)N(CC)CC)C1
InChIInChI=1S/C21H41N3O2/c1-4-7-8-9-10-11-12-13-16-22-21(26)24-17-14-15-19(18-24)20(25)23(5-2)6-3/h19H,4-18H2,1-3H3,(H,22,26)/t19-/m0/s1
InChIKeyQPFIFCKOOZZCDG-IBGZPJMESA-N
XLogP4.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 126433090
3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
CID 56505796
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (CID 70998444) is (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is CCCCCCCCCCNC(=O)N1CCC[C@H](C(=O)N(CC)CC)C1.
What is the InChIKey of (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is QPFIFCKOOZZCDG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H41N3O2/c1-4-7-8-9-10-11-12-13-16-22-21(26)24-17-14-15-19(18-24)20(25)23(5-2)6-3/h19H,4-18H2,1-3H3,(H,22,26)/t19-/m0/s1.
What are the key properties of (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
(3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 367.58 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-decyl-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 70998444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).