N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride

C14H31Cl2N3O — CID 42935491

IUPACN-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride
SMILESCC(C)N(CCNC(=O)C1CCNCC1)C(C)C.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11(2)17(12(3)4)10-9-16-14(18)13-5-7-15-8-6-13;;/h11-13,15H,5-10H2,1-4H3,(H,16,18);2*1H
InChIKeyIOUWAKSVPRRNTA-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride

N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 42935491) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID42935491
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride
SMILESCC(C)N(CCNC(=O)C1CCNCC1)C(C)C.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11(2)17(12(3)4)10-9-16-14(18)13-5-7-15-8-6-13;;/h11-13,15H,5-10H2,1-4H3,(H,16,18);2*1H
InChIKeyIOUWAKSVPRRNTA-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride (CID 42935491) is N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride is CC(C)N(CCNC(=O)C1CCNCC1)C(C)C.Cl.Cl.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is IOUWAKSVPRRNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-11(2)17(12(3)4)10-9-16-14(18)13-5-7-15-8-6-13;;/h11-13,15H,5-10H2,1-4H3,(H,16,18);2*1H.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride?
N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 42935491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).