N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride

C16H33Cl2N3O — CID 119884497

IUPACN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCCC1CCCN(C(C)(C)CNC(=O)C2CCNC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-4-13-6-5-9-19(11-13)16(2,3)12-18-15(20)14-7-8-17-10-14;;/h13-14,17H,4-12H2,1-3H3,(H,18,20);2*1H
InChIKeyPFYVXLGPOZBGCV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119884497) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119884497
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC NameN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCCC1CCCN(C(C)(C)CNC(=O)C2CCNC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-4-13-6-5-9-19(11-13)16(2,3)12-18-15(20)14-7-8-17-10-14;;/h13-14,17H,4-12H2,1-3H3,(H,18,20);2*1H
InChIKeyPFYVXLGPOZBGCV-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]piperidine-2-carboxamide
CID 119884432
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide
CID 119884460
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 120704469
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119839517
5-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120646712
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119849995
N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159602
2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800439
cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95307440
trans-(1S,2S)-N-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 124817001

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119884497) is N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride is CCC1CCCN(C(C)(C)CNC(=O)C2CCNC2)C1.Cl.Cl.
What is the InChIKey of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is PFYVXLGPOZBGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-4-13-6-5-9-19(11-13)16(2,3)12-18-15(20)14-7-8-17-10-14;;/h13-14,17H,4-12H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119884497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).