6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C16H22Cl2N2O2 — CID 120576633

IUPAC6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1COc2ccc(Cl)cc2C1.Cl
InChIInChI=1S/C16H21ClN2O2.ClH/c1-10-14(3-2-6-18-10)19-16(20)12-7-11-8-13(17)4-5-15(11)21-9-12;/h4-5,8,10,12,14,18H,2-3,6-7,9H2,1H3,(H,19,20);1H
InChIKeyIQSBXGLWQQFRMQ-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.57
Rot. Bonds2

About 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 120576633) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID120576633
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1COc2ccc(Cl)cc2C1.Cl
InChIInChI=1S/C16H21ClN2O2.ClH/c1-10-14(3-2-6-18-10)19-16(20)12-7-11-8-13(17)4-5-15(11)21-9-12;/h4-5,8,10,12,14,18H,2-3,6-7,9H2,1H3,(H,19,20);1H
InChIKeyIQSBXGLWQQFRMQ-UHFFFAOYSA-N
XLogP2.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
6-chloro-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 119459981
N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
CID 126795271
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120577340
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
6-chloro-N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441288
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 120576539
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119547490
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 127463379

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 120576633) is 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1COc2ccc(Cl)cc2C1.Cl.
What is the InChIKey of 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is IQSBXGLWQQFRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c1-10-14(3-2-6-18-10)19-16(20)12-7-11-8-13(17)4-5-15(11)21-9-12;/h4-5,8,10,12,14,18H,2-3,6-7,9H2,1H3,(H,19,20);1H.
What are the key properties of 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120576633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).