3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide

C20H31ClN2O3 — CID 60572226

IUPAC3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC(C)CN2CCCC(C)C2)cc1OC
InChIInChI=1S/C20H31ClN2O3/c1-5-9-26-19-17(21)10-16(11-18(19)25-4)20(24)22-15(3)13-23-8-6-7-14(2)12-23/h10-11,14-15H,5-9,12-13H2,1-4H3,(H,22,24)
InChIKeyDTNOUZSWHJYVMP-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.99
Rot. Bonds8

About 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide (PubChem CID 60572226) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide
PubChem CID60572226
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC(C)CN2CCCC(C)C2)cc1OC
InChIInChI=1S/C20H31ClN2O3/c1-5-9-26-19-17(21)10-16(11-18(19)25-4)20(24)22-15(3)13-23-8-6-7-14(2)12-23/h10-11,14-15H,5-9,12-13H2,1-4H3,(H,22,24)
InChIKeyDTNOUZSWHJYVMP-UHFFFAOYSA-N
XLogP3.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60572108
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-5-methoxy-4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]aniline
CID 129362158
3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
CID 29296275
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide (CID 60572226) is 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NC(C)CN2CCCC(C)C2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide?
The InChIKey is DTNOUZSWHJYVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O3/c1-5-9-26-19-17(21)10-16(11-18(19)25-4)20(24)22-15(3)13-23-8-6-7-14(2)12-23/h10-11,14-15H,5-9,12-13H2,1-4H3,(H,22,24).
What are the key properties of 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide has a molecular weight of 382.93 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-propoxybenzamide is sourced from PubChem (CID 60572226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).