N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride

C20H30ClN3O4 — CID 119622029

IUPACN-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(NCC3CC3)CC2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C20H29N3O4.ClH/c1-13(24)22-17-10-15(11-18(26-2)19(17)27-3)20(25)23-8-6-16(7-9-23)21-12-14-4-5-14;/h10-11,14,16,21H,4-9,12H2,1-3H3,(H,22,24);1H
InChIKeyNDTRCBXICWDFRK-UHFFFAOYSA-N
MW411.93 g/mol
LogP2.69
Rot. Bonds7

About N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride

N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride (PubChem CID 119622029) has the molecular formula C20H30ClN3O4 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
PubChem CID119622029
Molecular FormulaC20H30ClN3O4
Molecular Weight411.93 g/mol
Exact Mass411.19
IUPAC NameN-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
SMILESCOc1cc(C(=O)N2CCC(NCC3CC3)CC2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C20H29N3O4.ClH/c1-13(24)22-17-10-15(11-18(26-2)19(17)27-3)20(25)23-8-6-16(7-9-23)21-12-14-4-5-14;/h10-11,14,16,21H,4-9,12H2,1-3H3,(H,22,24);1H
InChIKeyNDTRCBXICWDFRK-UHFFFAOYSA-N
XLogP2.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-3,5-dimethoxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119621609
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone
CID 119624177
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119593154
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119623457
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119466542
N-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119623576
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 119622600
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119622033
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562614
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
The IUPAC name of N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride (CID 119622029) is N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride is COc1cc(C(=O)N2CCC(NCC3CC3)CC2)cc(NC(C)=O)c1OC.Cl.
What is the InChIKey of N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
The InChIKey is NDTRCBXICWDFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4.ClH/c1-13(24)22-17-10-15(11-18(26-2)19(17)27-3)20(25)23-8-6-16(7-9-23)21-12-14-4-5-14;/h10-11,14,16,21H,4-9,12H2,1-3H3,(H,22,24);1H.
What are the key properties of N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride?
N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119622029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).