N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide

C14H28N4O2 — CID 115899595

IUPACN,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
SMILESCC(C)NC(=O)CCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-11(2)16-13(19)5-8-15-12-6-9-18(10-7-12)14(20)17(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,19)
InChIKeyBDTPHRGMNBLXRX-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.64
Rot. Bonds5

About N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide

N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide (PubChem CID 115899595) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
PubChem CID115899595
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
SMILESCC(C)NC(=O)CCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-11(2)16-13(19)5-8-15-12-6-9-18(10-7-12)14(20)17(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,19)
InChIKeyBDTPHRGMNBLXRX-UHFFFAOYSA-N
XLogP0.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099
4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912870
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365
2-[3-(cyclopropylamino)propanoylamino]-N,N-dimethylpropanamide
CID 60867427
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide (CID 115899595) is N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide is CC(C)NC(=O)CCNC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide?
The InChIKey is BDTPHRGMNBLXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-11(2)16-13(19)5-8-15-12-6-9-18(10-7-12)14(20)17(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,19).
What are the key properties of N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide?
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 115899595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).