N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H25ClN2O3 — CID 120623702

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC2COc3ccccc3C2)CCNCC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-12-17(6-8-18-9-7-17)16(20)19-14-10-13-4-2-3-5-15(13)22-11-14;/h2-5,14,18H,6-12H2,1H3,(H,19,20);1H
InChIKeyPBDXNUSLMJSNLH-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.54
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120623702) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120623702
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC2COc3ccccc3C2)CCNCC1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-12-17(6-8-18-9-7-17)16(20)19-14-10-13-4-2-3-5-15(13)22-11-14;/h2-5,14,18H,6-12H2,1H3,(H,19,20);1H
InChIKeyPBDXNUSLMJSNLH-UHFFFAOYSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120623702) is N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC2COc3ccccc3C2)CCNCC1.Cl.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is PBDXNUSLMJSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-21-12-17(6-8-18-9-7-17)16(20)19-14-10-13-4-2-3-5-15(13)22-11-14;/h2-5,14,18H,6-12H2,1H3,(H,19,20);1H.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).